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22388-07-4 | Benzothiazole, 2-(2-propenylthio)- (9CI)
CAS No: 22388-07-4 Catalog No: AG00BLPA MDL No:
Product Description
Catalog Number:
AG00BLPA
Chemical Name:
Benzothiazole, 2-(2-propenylthio)- (9CI)
CAS Number:
22388-07-4
IUPAC Name:
2-prop-2-enylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C10H9NS2/c1-2-7-12-10-11-8-5-3-4-6-9(8)13-10/h2-6H,1,7H2
InChI Key:
BBSXEAQRDHEFLL-UHFFFAOYSA-N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.018g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.309g/mol
Monoisotopic Mass:
207.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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