5-amino-4-methyl-4H-1,2,4-triazole-3-thiol
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Basic information
- CAS
66870-09-5- Standard SMILES
Cn1c(N)n[nH]c1=S- InChIKey
FMOWTLWMBHFCJY-UHFFFAOYSA-N- Molecular formula
- C3H6N4S
- Average molar mass
- 130.17 g/mol
- Monoisotopic mass
- 130.03131738
Names & identifiers
- Preferred name
- 5-amino-4-methyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-amino-4-methyl-1H-1,2,4-triazole-5-thione
- English name
- 5-AMINO-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
- Molecular formula
- C3H6N4S
- Molecular weight
- 130.17
Names & synonyms
5-amino-4-methyl-4H-1,2,4-triazole-3-thiol66870-09-5DTXSID80398730RefChem:301036DTXCID20349589840-369-23-amino-4-methyl-1H-1,2,4-triazole-5-thioneMFCD099713754H-1,2,4-triazole-3-thiol, 5-amino-4-methyl-5-Amino-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thioneNSC95940NCIOpen2_001730
Show more names
3H-1,2,4-Triazole-3-thione, 5-amino-2,4-dihydro-4-methyl-
SCHEMBL4040587SCHEMBL10402132SCHEMBL16401225FMOWTLWMBHFCJY-UHFFFAOYSA-NALBB-028496NSC-95940AKOS005362449AKOS006221438
Database identifiers
- CAS
66870-09-5- PubChem CID
- 4044446
- DTXSID
DTXSID80398730- EC Number
- 840-369-2
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 269 · 269-272 °C
- Boiling point
- 196.2 · 196.2±23.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 8.69 · 8.69±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H312-H332-H335-H315
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H312-H332-H335-H315
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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