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2757-92-8 | Benzothiazole, 2-(ethylthio)-
CAS No: 2757-92-8 Catalog No: AG002U3Q MDL No:
Product Description
Catalog Number:
AG002U3Q
Chemical Name:
Benzothiazole, 2-(ethylthio)-
CAS Number:
2757-92-8
Molecular Formula:
C9H9NS2
Molecular Weight:
195.3045
IUPAC Name:
2-ethylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NS2/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3
InChI Key:
HKIQFQKRAQSUJI-UHFFFAOYSA-N
SMILES:
CCSc1nc2c(s1)cccc2
EC Number:
220-418-9
NSC Number:
45348
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.298g/mol
Monoisotopic Mass:
195.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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