Basic information
- CAS
7274-58-0- Standard SMILES
Cc1n[nH]c(=S)nc1C- InChIKey
LVLZPNSPPJPGQM-UHFFFAOYSA-N- Molecular formula
- C5H7N3S
- Average molar mass
- 141.2 g/mol
- Monoisotopic mass
- 141.03606841
Names & identifiers
- Preferred name
- 5,6-Dimethyl-1,2,4-triazine-3-thiol
- IUPAC
- 5,6-dimethyl-2H-1,2,4-triazine-3-thione
- English name
- 5,6-Dimethyl-1,2,4-triazine-3-thiol
- Molecular formula
- C5H7N3S
- Molecular weight
- 0
Names & synonyms
5,6-dimethyl-1,2,4-triazine-3-thiol7274-58-05,6-dimethyl-2H-1,2,4-triazine-3-thionedimethyl-1,2,4-triazine-3-thiolNSC-1542095,6-Dimethyl-1,2,4-triazine-3(2H)-thioneNSC154209SCHEMBL10404473SCHEMBL10404474SCHEMBL29504218DTXSID60398632as-Triazine-3-thiol,6-dimethyl-
Show more names
4D2P2X72R7AKOS000122765as-Triazine-3-thiol, 5,6-dimethyl-5,6-Dimethyl-1,2,4-triazine-3-thioneas-Triazine-3(2H)-thione, 5,6-dimethyl-CS-0355964EN300-124621,2,4-Triazine-3(2H)-thione, 5,6-dimethyl-
Database identifiers
- CAS
7274-58-0- PubChem CID
- 4028895
- DTXSID
DTXSID60398632- UNII
- 4D2P2X72R7
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 204
Chemistry & industry
Suppliers6 total
北京奥龙飞科技有限公司—
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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