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40516-71-0 | (4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YL)-METHANOL
CAS No: 40516-71-0 Catalog No: AG01DWEV MDL No:MFCD17251263
Product Description
Catalog Number:
AG01DWEV
Chemical Name:
(4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YL)-METHANOL
CAS Number:
40516-71-0
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
MDL Number:
MFCD17251263
IUPAC Name:
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanol
InChI:
InChI=1S/C8H11NOS/c10-5-8-9-6-3-1-2-4-7(6)11-8/h10H,1-5H2
InChI Key:
MZQZKCUGRSNVFJ-UHFFFAOYSA-N
SMILES:
OCc1nc2c(s1)CCCC2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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