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126647-17-4 | 1-Pyrrolidineethanethioamide, N-(1-methyl-2-pyrrolidinylidene)-2-oxo-
CAS No: 126647-17-4 Catalog No: AG000T29 MDL No:
Product Description
Catalog Number:
AG000T29
Chemical Name:
1-Pyrrolidineethanethioamide, N-(1-methyl-2-pyrrolidinylidene)-2-oxo-
CAS Number:
126647-17-4
Molecular Formula:
C11H17N3OS
Molecular Weight:
239.3372
IUPAC Name:
N-(1-methylpyrrolidin-2-ylidene)-2-(2-oxopyrrolidin-1-yl)ethanethioamide
InChI:
InChI=1S/C11H17N3OS/c1-13-6-2-4-9(13)12-10(16)8-14-7-3-5-11(14)15/h2-8H2,1H3
InChI Key:
DNCZFMOGMRMAGQ-UHFFFAOYSA-N
SMILES:
S=C(N=C1CCCN1C)CN1CCCC1=O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.109g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.337g/mol
Monoisotopic Mass:
239.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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