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89533-16-4

89533-16-4 | 3-Thiazolidinepropanenitrile,2-thioxo-

CAS No: 89533-16-4 Catalog No: AG004043 MDL No:

Product Description

Catalog Number:
AG004043
Chemical Name:
3-Thiazolidinepropanenitrile,2-thioxo-
CAS Number:
89533-16-4
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
IUPAC Name:
3-(2-sulfanylidene-1,3-thiazolidin-3-yl)propanenitrile
InChI:
InChI=1S/C6H8N2S2/c7-2-1-3-8-4-5-10-6(8)9/h1,3-5H2
InChI Key:
YZJGVNLTMUWLIG-UHFFFAOYSA-N
SMILES:
C(N1CCSC1=S)CC#N
NSC Number:
122624

Properties

Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.013g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.264g/mol
Monoisotopic Mass:
172.013g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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