200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 294674-97-8
294674-97-8 | Benzaldehyde, 2-mercapto-4-methyl-
CAS No: 294674-97-8 Catalog No: AG002YGW MDL No:MFCD18824374
Product Description
Catalog Number:
AG002YGW
Chemical Name:
Benzaldehyde, 2-mercapto-4-methyl-
CAS Number:
294674-97-8
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
MDL Number:
MFCD18824374
IUPAC Name:
4-methyl-2-sulfanylbenzaldehyde
InChI:
InChI=1S/C8H8OS/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3
InChI Key:
IOBQGBDPPIJYTD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1S)C
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.