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Home > Aldehydes > 183946-30-7
183946-30-7 | 1H-Indole-3-carboxaldehyde, 2-mercapto-
CAS No: 183946-30-7 Catalog No: AG0075W1 MDL No:MFCD12131118
Product Description
Catalog Number:
AG0075W1
Chemical Name:
1H-Indole-3-carboxaldehyde, 2-mercapto-
CAS Number:
183946-30-7
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD12131118
IUPAC Name:
2-sulfanyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H7NOS/c11-5-7-6-3-1-2-4-8(6)10-9(7)12/h1-5,10,12H
InChI Key:
ITVZJCAUYSGPDZ-UHFFFAOYSA-N
SMILES:
O=Cc1c(S)[nH]c2c1cccc2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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