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71190-29-9 | Cyclohepta[c]pyrrole, 1,3-dimethyl-6-(methylthio)-
CAS No: 71190-29-9 Catalog No: AG005KD0 MDL No:
Product Description
Catalog Number:
AG005KD0
Chemical Name:
Cyclohepta[c]pyrrole, 1,3-dimethyl-6-(methylthio)-
CAS Number:
71190-29-9
Molecular Formula:
C12H13NS
Molecular Weight:
203.3033
IUPAC Name:
1,3-dimethyl-6-methylsulfanylcyclohepta[c]pyrrole
InChI:
InChI=1S/C12H13NS/c1-8-11-6-4-10(14-3)5-7-12(11)9(2)13-8/h4-7H,1-3H3
InChI Key:
MJNDUENALLGQHK-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(cc1)c(nc2C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.303g/mol
Monoisotopic Mass:
203.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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