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74537-49-8 | 6-Benzothiazolol,2-(methylthio)-(9CI)
CAS No: 74537-49-8 Catalog No: AG00FJXG MDL No:MFCD14585416
Product Description
Catalog Number:
AG00FJXG
Chemical Name:
6-Benzothiazolol,2-(methylthio)-(9CI)
CAS Number:
74537-49-8
Molecular Formula:
C8H7NOS2
Molecular Weight:
197.2773
MDL Number:
MFCD14585416
IUPAC Name:
2-methylsulfanyl-1,3-benzothiazol-6-ol
InChI:
InChI=1S/C8H7NOS2/c1-11-8-9-6-3-2-5(10)4-7(6)12-8/h2-4,10H,1H3
InChI Key:
IAQHORMPRYVLJX-UHFFFAOYSA-N
SMILES:
CSc1nc2c(s1)cc(cc2)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.27g/mol
Monoisotopic Mass:
196.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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