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75985-34-1 | 2-Aziridinecarbonitrile, 1-[(4-methyl-2-thiazolyl)methyl]-
CAS No: 75985-34-1 Catalog No: AG005GTO MDL No:
Product Description
Catalog Number:
AG005GTO
Chemical Name:
2-Aziridinecarbonitrile, 1-[(4-methyl-2-thiazolyl)methyl]-
CAS Number:
75985-34-1
Molecular Formula:
C8H9N3S
Molecular Weight:
179.2422
IUPAC Name:
1-[(4-methyl-1,3-thiazol-2-yl)methyl]aziridine-2-carbonitrile
InChI:
InChI=1S/C8H9N3S/c1-6-5-12-8(10-6)4-11-3-7(11)2-9/h5,7H,3-4H2,1H3
InChI Key:
LKVIDKMNJCWOSJ-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)CN1CC1C#N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.241g/mol
Monoisotopic Mass:
179.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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