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143888-85-1 | Benzenemethanethiol, 2-bromo-
CAS No: 143888-85-1 Catalog No: AG001IKX MDL No:MFCD04038925
Product Description
Catalog Number:
AG001IKX
Chemical Name:
Benzenemethanethiol, 2-bromo-
CAS Number:
143888-85-1
Molecular Formula:
C7H7BrS
Molecular Weight:
203.0995
MDL Number:
MFCD04038925
IUPAC Name:
(2-bromophenyl)methanethiol
InChI:
InChI=1S/C7H7BrS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChI Key:
UJNSDLRPHRMVGZ-UHFFFAOYSA-N
SMILES:
SCc1ccccc1Br
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.097g/mol
Monoisotopic Mass:
201.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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