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74008-00-7 | 2-Thiazolidinecarbonitrile,3-methyl-
CAS No: 74008-00-7 Catalog No: AG005UVN MDL No:
Product Description
Catalog Number:
AG005UVN
Chemical Name:
2-Thiazolidinecarbonitrile,3-methyl-
CAS Number:
74008-00-7
Molecular Formula:
C5H8N2S
Molecular Weight:
128.1954
IUPAC Name:
3-methyl-1,3-thiazolidine-2-carbonitrile
InChI:
InChI=1S/C5H8N2S/c1-7-2-3-8-5(7)4-6/h5H,2-3H2,1H3
InChI Key:
HICFRDKHAIAUNI-UHFFFAOYSA-N
SMILES:
N#CC1SCCN1C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.041g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.193g/mol
Monoisotopic Mass:
128.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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