C1=CC=C(C=C1)CCS
CAS: 4410-99-5
Name: 2-phenylethanethiol
SMILES: C1=CC=C(C=C1)CCS

Molecular Processing

Molecular formula
C8H10S
Molecular weight
138.23
Exact mass
138.0503
XLogP
2.16
TPSA
0
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
44

Supplementary Information

InChIKey: ZMRFRBHYXOQLDK-UHFFFAOYSA-N
Synonyme
2-Phenylethanethiol4410-99-5Phenethyl mercaptanBenzeneethanethiolPhenylethyl mercaptan2-phenyl-1-ethanethiolPhenylethylthiolUNII-I4TH2T2INYI4TH2T2INY2-phenethylmercaptanPHENETHYLTHIOLb-PhenylethylmercaptanBenzeneethanethiol, 9CINSC-2616EINECS 224-563-91-Mercapto-2-phenylethaneETHANETHIOL, 2-PHENYL-FEMA NO. 3894FEMA 3894DTXSID601960391-PHENYL-2-MERCAPTOETHANEPHENETHYL MERCAPTAN [FHFI]PHENYLETHYL MERCAPTAN, 2-NSC 2616RefChem:89070DTXCID20118530ZMRFRBHYXOQLDK-UHFFFAOYSA-N2-Phenylethyl mercaptan2-phenylethane-1-thiol2-phenylethylthiol
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