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24571-57-1 | 2-Propenethioamide, 2-cyano-3,3-bis(methylthio)-
CAS No: 24571-57-1 Catalog No: AG002OME MDL No:
Product Description
Catalog Number:
AG002OME
Chemical Name:
2-Propenethioamide, 2-cyano-3,3-bis(methylthio)-
CAS Number:
24571-57-1
Molecular Formula:
C6H8N2S3
Molecular Weight:
204.3361
IUPAC Name:
2-cyano-3,3-bis(methylsulfanyl)prop-2-enethioamide
InChI:
InChI=1S/C6H8N2S3/c1-10-6(11-2)4(3-7)5(8)9/h1-2H3,(H2,8,9)
InChI Key:
HNTXYZSTHBEZFG-UHFFFAOYSA-N
SMILES:
CSC(=C(C(=S)N)C#N)SC
NSC Number:
687618
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.985g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.324g/mol
Monoisotopic Mass:
203.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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