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Home > Aldehydes > 171776-80-0
171776-80-0 | Benzaldehyde, 2-mercapto-5-methyl-
CAS No: 171776-80-0 Catalog No: AG007WMA MDL No:MFCD18904480
Product Description
Catalog Number:
AG007WMA
Chemical Name:
Benzaldehyde, 2-mercapto-5-methyl-
CAS Number:
171776-80-0
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
MDL Number:
MFCD18904480
IUPAC Name:
5-methyl-2-sulfanylbenzaldehyde
InChI:
InChI=1S/C8H8OS/c1-6-2-3-8(10)7(4-6)5-9/h2-5,10H,1H3
InChI Key:
HQROGVVBGYLYSX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)ccc1S
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.211g/mol
Monoisotopic Mass:
152.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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