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16325-88-5 | Benzenemethanethiol, α,α-dimethyl-
CAS No: 16325-88-5 Catalog No: AG001TYE MDL No:MFCD08458285
Product Description
Catalog Number:
AG001TYE
Chemical Name:
Benzenemethanethiol, α,α-dimethyl-
CAS Number:
16325-88-5
Molecular Formula:
C9H12S
Molecular Weight:
152.2566
MDL Number:
MFCD08458285
IUPAC Name:
2-phenylpropane-2-thiol
InChI:
InChI=1S/C9H12S/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChI Key:
WBDRVMIJNFZLMN-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)(S)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.066g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.255g/mol
Monoisotopic Mass:
152.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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