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113900-63-3 | Carbamothioic acid, [(1-methoxy-1H-indol-3-yl)methyl]-, S-methyl ester (9CI)
CAS No: 113900-63-3 Catalog No: AG000A1X MDL No:
Product Description
Catalog Number:
AG000A1X
Chemical Name:
Carbamothioic acid, [(1-methoxy-1H-indol-3-yl)methyl]-, S-methyl ester (9CI)
CAS Number:
113900-63-3
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
S-methyl N-[(1-methoxyindol-3-yl)methyl]carbamothioate
InChI:
InChI=1S/C12H14N2O2S/c1-16-14-8-9(7-13-12(15)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,15)
InChI Key:
BHXCFNZULGNWRA-UHFFFAOYSA-N
SMILES:
CSC(=O)NCc1cn(c2c1cccc2)OC
NSC Number:
732274
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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