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77528-65-5 | 5-Benzothiazolemethanol,4,5,6,7-tetrahydro-2-methyl-
CAS No: 77528-65-5 Catalog No: AG00595G MDL No:
Product Description
Catalog Number:
AG00595G
Chemical Name:
5-Benzothiazolemethanol,4,5,6,7-tetrahydro-2-methyl-
CAS Number:
77528-65-5
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
IUPAC Name:
(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanol
InChI:
InChI=1S/C9H13NOS/c1-6-10-8-4-7(5-11)2-3-9(8)12-6/h7,11H,2-5H2,1H3
InChI Key:
VQVKKIYLIHOYPJ-UHFFFAOYSA-N
SMILES:
OCC1CCc2c(C1)nc(s2)C
EC Number:
278-711-2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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