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27410-89-5 | 3(2H)-Benzothiazolepropanenitrile,2-thioxo-
CAS No: 27410-89-5 Catalog No: AG007KW1 MDL No:
Product Description
Catalog Number:
AG007KW1
Chemical Name:
3(2H)-Benzothiazolepropanenitrile,2-thioxo-
CAS Number:
27410-89-5
Molecular Formula:
C10H8N2S2
Molecular Weight:
220.3139
IUPAC Name:
3-(2-sulfanylidene-1,3-benzothiazol-3-yl)propanenitrile
InChI:
InChI=1S/C10H8N2S2/c11-6-3-7-12-8-4-1-2-5-9(8)14-10(12)13/h1-2,4-5H,3,7H2
InChI Key:
LUNDDJLLLGBJBJ-UHFFFAOYSA-N
SMILES:
N#CCCn1c(=S)sc2c1cccc2
NSC Number:
122644
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.308g/mol
Monoisotopic Mass:
220.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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