| Identification | More | [Name]
1H-1,2,4-Triazole-3-thiol | [CAS]
3179-31-5 | [Synonyms]
1,2,4-triazole-3(5)-thiol
1,2,4-TRIAZOLE-3-THIOL
1H-1,2,4-TRIAZOL-3-THIOL
1H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
1H-1,2,4-TRIAZOLE-3-MERCAPTAN
1H-1,2,4-TRIAZOLE-3-THIOL
1H-1,2,4-TRIAZOLO-3-MERCAPTAN
3-MERCAPTANO-1,2,4-TRIAZOLE
3-MERCAPTO-1,2,4-TRIAZOLE
3-MERCAPTO-1H-1,2,4-TRIAZOLE
MTZ
S-TRIAZOLE-3-THIOL
TIMTEC-BB SBB004364
1,2,4-triazol-thiol-(3)
1,2-dihydro-3h-1,2,4-triazole-3-thione
2,4-Triazole-3-thione,1,2-dihydro-3H-1
4-triazole,3-mercapto-1h-2
4-triazole-3-thione,1,2-dihydro-3h-2
ent61291
3-mercapto-1,2,4-triazole*photographic grade | [EINECS(EC#)]
221-656-6 | [Molecular Formula]
C2H3N3S | [MDL Number]
MFCD00005229 | [Molecular Weight]
101.13 | [MOL File]
3179-31-5.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE TO SLIGHTLY YELLOW FINE CRYSTALLINE POWDER | [Melting point ]
221-224 °C(lit.)
| [Boiling point ]
132.6±23.0 °C(Predicted) | [density ]
1.385 (estimate) | [vapor pressure ]
1.707-1.71Pa at 25℃ | [refractive index ]
1.5800 (estimate) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
H2O: soluble50g/L | [form ]
solid | [pka]
9.24±0.20(Predicted) | [color ]
White to Off-White | [PH]
4.0 (85g/l, H2O, 20℃) | [Water Solubility ]
Soluble in hot water. | [BRN ]
107731 | [InChI]
1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6) | [InChIKey]
AFBBKYQYNPNMAT-UHFFFAOYSA-N | [SMILES]
Sc1nc[nH]n1 | [LogP]
-0.398 at 21℃ and pH5 | [CAS DataBase Reference]
3179-31-5(CAS DataBase Reference) | [EPA Substance Registry System]
3179-31-5(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H319 | [Precautionary statements ]
P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S33:Take precautionary measures against static discharges .
S39:Wear eye/face protection .
S7/8:Keep container tightly closed and dry .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
1
| [RTECS ]
XZ5267500
| [F ]
10-23 | [Hazard Note ]
Irritant | [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29339990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
WHITE TO SLIGHTLY YELLOW FINE CRYSTALLINE POWDER | [Uses]
1H-1,2,4-Triazole-3-thiol was used in a study to design a surface enhanced Raman scattering based probe for fast and accurate detection of DNA markers. | [General Description]
1H-1,2,4-Triazole-3-thiol is a mercapto-substituted 1,2,4-triazole ligand and exhibits tautomerism in solution. 1H-1,2,4-Triazole-3-thiol forms novel luminescent polymers with cadmium(II) salts. 1H-1,2,4-Triazole-3-thiol undergoes regioselective S-alkylation to form a series of S-substituted derivatives. | [Synthesis]
1. In a 100 mL reaction flask, formic acid (24.2 g, 0.52 mol), water (25 mL) and aminothiourea (20 g, 0.22 mol) were added sequentially. The mixture was heated to 105 °C and the reaction was maintained for 30 min.
2. Upon completion of the reaction, the reaction solution was slowly cooled to room temperature and subsequently placed at -10°C for slow crystallization.
3. Upon completion of crystallization, the solid product was collected by filtration and dried to afford aldimine thiourea (22.3 g white solid, 85% yield).
4. To a 250 mL single-necked flask was added aldimine thiourea (12 g, 0.1 mol), water (130 mL) and sodium carbonate (21.2 g, 0.25 mol). The mixture was heated to 100 °C and the reaction was kept for 4 hours.
5. At the end of the reaction, the reaction solution was slowly cooled to room temperature and the pH was adjusted to 4-5 with dilute hydrochloric acid.
6. The reaction solution was placed at -10°C with slow stirring to induce slow precipitation of the product. 7.
7. The solid product was collected by filtration and dried to give 3-mercapto-1,2,4-triazole (5.6 g white solid, 55% yield). | [References]
[1] Patent: CN108689951, 2018, A. Location in patent: Paragraph 0355; 0356; 0357; 0358 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
1H-1,2,4-Triazole-3-thiol(3179-31-5)MS
1H-1,2,4-Triazole-3-thiol(3179-31-5)1HNMR
1H-1,2,4-Triazole-3-thiol(3179-31-5)13CNMR
1H-1,2,4-Triazole-3-thiol(3179-31-5)IR1
1H-1,2,4-Triazole-3-thiol(3179-31-5)IR2
1H-1,2,4-Triazole-3-thiol(3179-31-5)Raman
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|