C1=CC=C(C=C1)CSCCN
CAS: 1007-54-1
Nom: 2-benzylsulfanylethanamine
SMILES: C1=CC=C(C=C1)CSCCN

Molecular Processing

Molecular formula
C9H13NS
Molecular weight
167.28
Exact mass
167.0769
XLogP
1.88
TPSA
26.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
51.66

Supplementary Information

InChIKey: PNCWHIAZZSDHPU-UHFFFAOYSA-N
Synonymes
2-(benzylsulfanyl)ethan-1-amineDTXSID50905677RefChem:459806DTXCID40866501818-414-22-(benzylthio)ethanamine1007-54-12-benzylsulfanylethanamine2-(benzylsulfanyl)ethanamine2-(benzylthio)ethylamineMFCD009819572-(Benzylthio)ethan-1-amineS-benzylcysteamineNSC393232-benzylthioethylamine2-benzylthio ethylamine2-benzylsulfanyl-ethylamineSCHEMBL68470SCHEMBL6168609SCHEMBL8971893SCHEMBL9143525PNCWHIAZZSDHPU-UHFFFAOYSA-NHMS1749K10ALBB-013371NSC-39323STK825983AKOS000206766AT38291DA-16426SY082586
Voir la source →
Impliqué dans 13 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→