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39905-98-1 | Benzothiazole, 2-(isothiocyanatomethyl)-6-methyl- (9CI)
CAS No: 39905-98-1 Catalog No: AG00CPDB MDL No:
Product Description
Catalog Number:
AG00CPDB
Chemical Name:
Benzothiazole, 2-(isothiocyanatomethyl)-6-methyl- (9CI)
CAS Number:
39905-98-1
IUPAC Name:
2-(isothiocyanatomethyl)-6-methyl-1,3-benzothiazole
InChI:
InChI=1S/C10H8N2S2/c1-7-2-3-8-9(4-7)14-10(12-8)5-11-6-13/h2-4H,5H2,1H3
InChI Key:
QDNRFOSDRBPKTJ-UHFFFAOYSA-N
Properties
Complexity:
251
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:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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