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113538-78-6 | Benzenemethanethiol, 3-ethenyl-
CAS No: 113538-78-6 Catalog No: AG0008Y0 MDL No:
Product Description
Catalog Number:
AG0008Y0
Chemical Name:
Benzenemethanethiol, 3-ethenyl-
CAS Number:
113538-78-6
Molecular Formula:
C9H10S
Molecular Weight:
150.2407
IUPAC Name:
(3-ethenylphenyl)methanethiol
InChI:
InChI=1S/C9H10S/c1-2-8-4-3-5-9(6-8)7-10/h2-6,10H,1,7H2
InChI Key:
HJTQTAIMPQUEDY-UHFFFAOYSA-N
SMILES:
SCc1cccc(c1)C=C
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.239g/mol
Monoisotopic Mass:
150.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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