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25176-72-1 | Propanenitrile, 3-(2-benzothiazolylthio)-
CAS No: 25176-72-1 Catalog No: AG002QRQ MDL No:MFCD00095777
Product Description
Catalog Number:
AG002QRQ
Chemical Name:
Propanenitrile, 3-(2-benzothiazolylthio)-
CAS Number:
25176-72-1
Molecular Formula:
C10H8N2S2
Molecular Weight:
220.3139
MDL Number:
MFCD00095777
IUPAC Name:
3-(1,3-benzothiazol-2-ylsulfanyl)propanenitrile
InChI:
InChI=1S/C10H8N2S2/c11-6-3-7-13-10-12-8-4-1-2-5-9(8)14-10/h1-2,4-5H,3,7H2
InChI Key:
WICPQXGTHCPTGL-UHFFFAOYSA-N
SMILES:
N#CCCSc1nc2c(s1)cccc2
Properties
Complexity:
236
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.308g/mol
Monoisotopic Mass:
220.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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