Basic information
- CAS
6310-04-9- Standard SMILES
CSc1nc(=S)cc(C)[nH]1- InChIKey
PWIVSHYPWDPRDY-UHFFFAOYSA-N- Molecular formula
- C6H8N2S2
- Average molar mass
- 172.3 g/mol
- Monoisotopic mass
- 172.01289061
Names & identifiers
- Preferred name
- Mls000737072
- IUPAC
- 6-methyl-2-methylsulfanyl-1H-pyrimidine-4-thione
- English name
- 1-(5-chloro-2-thienyl)ethan-1-one
- Molecular formula
- C6H8N2S2
- Molecular weight
- 172.27
Names & synonyms
6310-04-9MLS000737072DTXSID70403443RefChem:357082DTXCID003542976-methyl-2-(methylthio)-4-pyrimidinethiol6-Methyl-2-(methylthio)pyrimidine-4(3H)-thioneNSC430136-methyl-2-methylsulfanyl-1H-pyrimidine-4-thioneCHEMBL1489603SCHEMBL26063180HMS2756K22
Show more names
4-METHYL-6-MERCAPTO-2-METHYLTHIO)PYRIMIDINE4(3H)-Pyrimidinethione, 6-methyl-2-(methylthio)-
NSC-43013STL169617AKOS005367254AKOS024332415SMR0003940266-Methyl-2-(methylsulfanyl)pyrimidine-4(1H)-thione6-methyl-2-(methylsulfanyl)pyrimidine-4(3H)-thione
Database identifiers
- CAS
6310-04-9- PubChem CID
- 4453076
- DTXSID
DTXSID70403443- ChEMBL
CHEMBL1489603- EC Number
- 654-463-4
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…