5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
690642-82-1- Standard SMILES
Cn1c(Cc2csc(N)n2)n[nH]c1=S- InChIKey
RYIDJWVZDWSQCF-UHFFFAOYSA-N- Molecular formula
- C7H9N5S2
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.02993766
Names & identifiers
- Preferred name
- 5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
- English name
- 3-[(2-Amino-1,3-thiazol-4-yl)methyl]-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
- Molecular formula
- C7H9N5S2
- Molecular weight
- 227.31
Names & synonyms
690642-82-15-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol5-((2-amino-1,3-thiazol-4-yl)methyl)-4-methyl-4H-1,2,4-triazole-3-thiolRefChem:528527841-432-75-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione3-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione3-[(2-amino-1,3-thiazol-4-yl)methyl]-4-methyl-1H-1,2,4-triazole-5-thioneSBB083775AKOS000811548AKOS023092572EN300-30592
Show more names
3H-1,2,4-Triazole-3-thione, 5-[(2-amino-4-thiazolyl)methyl]-2,4-dihydro-4-methyl-
G23000F351109SR-01000014499SR-01000014499-1Z57721022F1722-00073-[(2-aminothiazol-4-yl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione3-[(2-amino(1,3-thiazol-4-yl))methyl]-4-methyl-1,2,4-triazoline-5-thione
Database identifiers
- CAS
690642-82-1- PubChem CID
- 1383641
- EC Number
- 841-432-7
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 396 · 396.0±44.0 °C(Predicted)
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- 8.82 · 8.82±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H312-H335-H332-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H312-H335-H332-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…