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39905-91-4 | Benzothiazole, 2-isothiocyanato- (9CI)
CAS No: 39905-91-4 Catalog No: AG00CP94 MDL No:
Product Description
Catalog Number:
AG00CP94
Chemical Name:
Benzothiazole, 2-isothiocyanato- (9CI)
CAS Number:
39905-91-4
IUPAC Name:
2-isothiocyanato-1,3-benzothiazole
InChI:
InChI=1S/C8H4N2S2/c11-5-9-8-10-6-3-1-2-4-7(6)12-8/h1-4H
InChI Key:
BOPXGBDKSQDNAT-UHFFFAOYSA-N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.254g/mol
Monoisotopic Mass:
191.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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