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42477-59-8 | Benzothiazole, 2-(2-propynylthio)- (6CI,9CI)
CAS No: 42477-59-8 Catalog No: AG00CPA5 MDL No:
Product Description
Catalog Number:
AG00CPA5
Chemical Name:
Benzothiazole, 2-(2-propynylthio)- (6CI,9CI)
CAS Number:
42477-59-8
IUPAC Name:
2-prop-2-ynylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C10H7NS2/c1-2-7-12-10-11-8-5-3-4-6-9(8)13-10/h1,3-6H,7H2
InChI Key:
MAHVSOABEFGAAH-UHFFFAOYSA-N
NSC Number:
327308
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.293g/mol
Monoisotopic Mass:
205.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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