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394223-37-1 | 5-Benzothiazolemethanol(9CI)
CAS No: 394223-37-1 Catalog No: AG00CL8K MDL No:MFCD12408380
Product Description
Catalog Number:
AG00CL8K
Chemical Name:
5-Benzothiazolemethanol(9CI)
CAS Number:
394223-37-1
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD12408380
IUPAC Name:
1,3-benzothiazol-5-ylmethanol
InChI:
InChI=1S/C8H7NOS/c10-4-6-1-2-8-7(3-6)9-5-11-8/h1-3,5,10H,4H2
InChI Key:
SGVXXFVXTHWXCR-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)ncs2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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