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CAS NO.3179-31-5
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| 1H-1,2,4-Triazole-3-thiol Basic information |
| Product Name: | 1H-1,2,4-Triazole-3-thiol |
| Synonyms: | TIMTEC-BB SBB004364;S-TRIAZOLE-3-THIOL;MTZ;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 |
| CAS: | 3179-31-5 |
| MF: | C2H3N3S |
| MW: | 101.13 |
| EINECS: | 221-656-6 |
| Product Categories: | |
| Mol File: | 3179-31-5.mol |
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| 1H-1,2,4-Triazole-3-thiol Chemical Properties |
| mp | 221-224 °C(lit.) |
| BRN | 107731 |
| CAS DataBase Reference | 3179-31-5(CAS DataBase Reference) |
| EPA Substance Registry System | 3H-1,2,4-Triazole- 3-thione, 1,2-dihydro-(3179-31-5) |
| Safety Information |
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36-36/37/38 |
| Safety Statements | 26-33-39-7/8-37/39 |
| WGK Germany | 1 |
| RTECS | XZ5267500 |
| F | 10-23 |
| Hazard Note | Irritant |
| HS Code | 29339990 |
| Molecular Weight | 101.13032 g/mol |
| Molecular Formula | C2H3N3S |
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 101.004768 g/mol |
| Monoisotopic Mass | 101.004768 g/mol |
| Topological Polar Surface Area | 68.5 A^2 |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 97 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |