C1=CC=C(C(=C1)S)Br
CAS: 6320-02-1
Name: 2-bromobenzenethiol
SMILES: C1=CC=C(C(=C1)S)Br

Molecular Processing

Molecular formula
C6H5BrS
Molecular weight
189.08
Exact mass
187.9295
XLogP
2.74
TPSA
0
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
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
Molar refractivity
41.39

Supplementary Information

InChIKey: YUQUNWNSQDULTI-UHFFFAOYSA-N
Synonyme
2-Bromothiophenol2-BromobenzenethiolBenzenethiol, 2-bromo-2-bromobenzene-1-thiolCD6P4XJ7FQ2-BROMOPHENYLTHIOLNSC-32016DTXSID3064229YUQUNWNSQDULTI-UHFFFAOYSA-EINECS 228-665-4NSC 32016RefChem:85848DTXCID1043756228-665-4InChI=1/C6H5BrS/c7-5-3-1-2-4-6(5)8/h1-4,8HYUQUNWNSQDULTI-UHFFFAOYSA-N6320-02-1o-Bromothiophenolo-Bromobenzenethiol2-Bromo-benzenethiolBenzenethiol, o-bromo-MFCD00004827C6H5BrS2-bromo-thiophenolNSC320162-bromobenzene thiolUNII-CD6P4XJ7FQ2-Bromothiophenol, 97%SCHEMBL48430SCHEMBL562715
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