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5102-46-5 | (2Z)-3-ethyl-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS No: 5102-46-5 Catalog No: AG00IYSR MDL No:MFCD02570978
Product Description
Catalog Number:
AG00IYSR
Chemical Name:
(2Z)-3-ethyl-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS Number:
5102-46-5
Molecular Formula:
C7H9N5OS
Molecular Weight:
211.2443
MDL Number:
MFCD02570978
IUPAC Name:
3-ethyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C7H9N5OS/c1-2-12-6(13)3-14-7(12)10-11-4-8-9-5-11/h4-5H,2-3H2,1H3
InChI Key:
QZMYEHWXWVMHMA-UHFFFAOYSA-N
SMILES:
CCN1C(=O)CS/C/1=N\n1cnnc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.243g/mol
Monoisotopic Mass:
211.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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