Basic information
- CAS
52379-37-0- Standard SMILES
S=C(NCc1ccccc1)c1ccccn1- InChIKey
XNNIQLMSLLNHOU-UHFFFAOYSA-N- Molecular formula
- C13H12N2S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.07211956
Names & identifiers
- Preferred name
- N-benzylpyridine-2-carbothioamide
- IUPAC
- N-benzylpyridine-2-carbothioamide
- English name
- N-benzylpyridine-2-carbothioamide
- Molecular formula
- C13H12N2S
- Molecular weight
- 228.31
Names & synonyms
N-benzylpyridine-2-carbothioamideN-Benzyl-2-pyridinecarbothioamide52379-37-02-Pyridinecarbothioamide, N-(phenylmethyl)-TimTec1_002870Oprea1_287206CBDivE_001246SCHEMBL12045993DTXSID50351852HMS1542C10STK069132AKOS000491075
Show more names
[benzylamino]-2-pyridylmethane-1-thioneST039866SR-01000194970SR-01000194970-1BRD-K91644768-001-01-0
Database identifiers
- CAS
52379-37-0- PubChem CID
- 711531
- DTXSID
DTXSID50351852- Nikkaji
- J2.112.054E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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