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497933-46-7 | (4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YL)-ACETONITRILE
CAS No: 497933-46-7 Catalog No: AG00DC3N MDL No:MFCD06657781
Product Description
Catalog Number:
AG00DC3N
Chemical Name:
(4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YL)-ACETONITRILE
CAS Number:
497933-46-7
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
MDL Number:
MFCD06657781
IUPAC Name:
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
InChI:
InChI=1S/C9H10N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-5H2
InChI Key:
DIXLFXNSSJPILC-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c(s1)CCCC2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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