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86186-83-6 | 1H-Pyrrole-2-carboxylic acid, 1-methyl-4-(methylthio)-, methyl ester
CAS No: 86186-83-6 Catalog No: AG004OKT MDL No:
Product Description
Catalog Number:
AG004OKT
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-methyl-4-(methylthio)-, methyl ester
CAS Number:
86186-83-6
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
IUPAC Name:
methyl 1-methyl-4-methylsulfanylpyrrole-2-carboxylate
InChI:
InChI=1S/C8H11NO2S/c1-9-5-6(12-3)4-7(9)8(10)11-2/h4-5H,1-3H3
InChI Key:
FTWWKSZAWZVYMT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cn1C)SC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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