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26309-63-7 | 1,2-Dithiolane-4-carboxamide, 3-imino-5-thioxo-
CAS No: 26309-63-7 Catalog No: AG002SNX MDL No:
Product Description
Catalog Number:
AG002SNX
Chemical Name:
1,2-Dithiolane-4-carboxamide, 3-imino-5-thioxo-
CAS Number:
26309-63-7
Molecular Formula:
C4H4N2OS3
Molecular Weight:
192.2824
IUPAC Name:
3-imino-5-sulfanylidenedithiolane-4-carboxamide
InChI:
InChI=1S/C4H4N2OS3/c5-2(7)1-3(6)9-10-4(1)8/h1,6H,(H2,5,7)
InChI Key:
MTCQUHPHPBDFTG-UHFFFAOYSA-N
SMILES:
NC(=O)C1C(=N)SSC1=S
NSC Number:
103091
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.949g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.269g/mol
Monoisotopic Mass:
191.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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