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Home > Aldehydes > 114669-11-3
114669-11-3 | Benzaldehyde, 3-amino-4-mercapto-
CAS No: 114669-11-3 Catalog No: AG000EZA MDL No:
Product Description
Catalog Number:
AG000EZA
Chemical Name:
Benzaldehyde, 3-amino-4-mercapto-
CAS Number:
114669-11-3
Molecular Formula:
C7H7NOS
Molecular Weight:
153.2016
IUPAC Name:
3-amino-4-sulfanylbenzaldehyde
InChI:
InChI=1S/C7H7NOS/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H,8H2
InChI Key:
HDDSZPGQRRVXCR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)N)S
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.199g/mol
Monoisotopic Mass:
153.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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