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49570-03-8 | Benzothiazole, 2-(2-butenylthio)- (9CI)
CAS No: 49570-03-8 Catalog No: AG00DNY4 MDL No:
Product Description
Catalog Number:
AG00DNY4
Chemical Name:
Benzothiazole, 2-(2-butenylthio)- (9CI)
CAS Number:
49570-03-8
IUPAC Name:
2-[(E)-but-2-enyl]sulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C11H11NS2/c1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11/h2-7H,8H2,1H3/b3-2+
InChI Key:
XUMHHDLGNBREGC-NSCUHMNNSA-N
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
221.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.336g/mol
Monoisotopic Mass:
221.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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