Benzenamine, 4-[(4-pyridinylthio)methyl]-

HCID 18005148
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Basic information

CAS
101735-16-4
Standard SMILES
Nc1ccc(CSc2ccncc2)cc1
InChIKey
COLXUKGEJNKESM-UHFFFAOYSA-N
Molecular formula
C12H12N2S
Average molar mass
216.3 g/mol
Monoisotopic mass
216.07211938

Names & identifiers

Preferred name
Benzenamine, 4-[(4-pyridinylthio)methyl]-
IUPAC
4-(pyridin-4-ylsulfanylmethyl)aniline

Names & synonyms

Benzenamine, 4-[(4-pyridinylthio)methyl]-101735-16-44-(pyridin-4-ylsulfanylmethyl)anilineSCHEMBL7082281DTXSID20592437COLXUKGEJNKESM-UHFFFAOYSA-N4-(Pyridin-4-ylthiomethyl)anilineAKOS0186144074-{[(Pyridin-4-yl)sulfanyl]methyl}aniline

Database identifiers

CAS
101735-16-4
PubChem CID
18005148
DTXSID
DTXSID20592437

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
64.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

Related reactions

3 records
New reaction record

Compound notes

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