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18858-06-5 | Benzenethiol, 5-chloro-2-methyl-
CAS No: 18858-06-5 Catalog No: AG002H0P MDL No:MFCD08062429
Product Description
Catalog Number:
AG002H0P
Chemical Name:
Benzenethiol, 5-chloro-2-methyl-
CAS Number:
18858-06-5
Molecular Formula:
C7H7ClS
Molecular Weight:
158.6485
MDL Number:
MFCD08062429
IUPAC Name:
5-chloro-2-methylbenzenethiol
InChI:
InChI=1S/C7H7ClS/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
InChI Key:
CKUHTPJQIPSKFS-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)S)C
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.996g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.643g/mol
Monoisotopic Mass:
157.996g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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