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115992-15-9 | 1H-Indole-7-carbothioic acid, 2,3-dihydro-, S-methyl ester
CAS No: 115992-15-9 Catalog No: AG000HE7 MDL No:MFCD18642784
Product Description
Catalog Number:
AG000HE7
Chemical Name:
1H-Indole-7-carbothioic acid, 2,3-dihydro-, S-methyl ester
CAS Number:
115992-15-9
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD18642784
IUPAC Name:
S-methyl 2,3-dihydro-1H-indole-7-carbothioate
InChI:
InChI=1S/C10H11NOS/c1-13-10(12)8-4-2-3-7-5-6-11-9(7)8/h2-4,11H,5-6H2,1H3
InChI Key:
XAEMZAGEPFHTPA-UHFFFAOYSA-N
SMILES:
CSC(=O)c1cccc2c1NCC2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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