Basic information
- CAS
13511-89-2- Standard SMILES
CN(C)C(=O)Sc1cccnc1- InChIKey
LJUACVJOFBXXSG-UHFFFAOYSA-N- Molecular formula
- C8H10N2OS
- Average molar mass
- 182.25 g/mol
- Monoisotopic mass
- 182.05138394
Names & identifiers
- Preferred name
- N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamide
- IUPAC
- S-pyridin-3-yl N,N-dimethylcarbamothioate
- English name
- CarbaMothioic acid,diMethyl-, S-3-pyridinyl ester (9CI)
- Molecular formula
- C8H10N2OS
- Molecular weight
- 182.24
Names & synonyms
13511-89-2N,N-dimethyl-1-(pyridin-3-ylsulfanyl)formamideS-Pyridin-3-yl dimethylcarbamothioateS-pyridin-3-yl N,N-dimethylcarbamothioateCARBAMOTHIOIC ACID,DIMETHYL-, S-3-PYRIDINYL ESTER (9CI)3-(dimethylaminocarbonylthio)pyridineNSC171502SCHEMBL3079918DTXSID70305711LJUACVJOFBXXSG-UHFFFAOYSA-NNAA51189s-pyridin-3-yldimethylcarbamothioate
Show more names
N,N-Dimethyl-thiocarbamidsaeure-S--pyridylesterCarbamothioic acid, N,N-dimethyl-, S-3-pyridinyl ester
S-(3-pyridinyl) dimethylthiocarbamateAKOS016011664NSC-171502S-(Pyridin-3-yl) dimethylcarbamothioateCS-0253451EN300-64421G33616
Database identifiers
- CAS
13511-89-2- PubChem CID
- 299059
- DTXSID
DTXSID70305711
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海三牧化工技术有限公司021-38681880 13817889927 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海固帮新材料科技有限公司021-51317962 · [email protected]
Related reactions
5 records
Compound notes
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