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139339-79-0 | 2-Pyrrolidinethione, 3-methyl-, (R)- (9CI)
CAS No: 139339-79-0 Catalog No: AG001ASD MDL No:
Product Description
Catalog Number:
AG001ASD
Chemical Name:
2-Pyrrolidinethione, 3-methyl-, (R)- (9CI)
CAS Number:
139339-79-0
Molecular Formula:
C5H9NS
Molecular Weight:
115.1967
IUPAC Name:
3-methylpyrrolidine-2-thione
InChI:
InChI=1S/C5H9NS/c1-4-2-3-6-5(4)7/h4H,2-3H2,1H3,(H,6,7)
InChI Key:
FDAQMCNWTHAERC-UHFFFAOYSA-N
SMILES:
S=C1NCC[C@H]1C
Properties
Complexity:
90.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.046g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.194g/mol
Monoisotopic Mass:
115.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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