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1343893-40-2 | (6-METHYL-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)METHANOL
CAS No: 1343893-40-2 Catalog No: AG01DVVQ MDL No:MFCD17251216
Product Description
Catalog Number:
AG01DVVQ
Chemical Name:
(6-METHYL-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-YL)METHANOL
CAS Number:
1343893-40-2
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD17251216
IUPAC Name:
(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol
InChI:
InChI=1S/C9H13NOS/c1-6-2-3-7-8(4-6)12-9(5-11)10-7/h6,11H,2-5H2,1H3
InChI Key:
SWRDANVETWCYJG-UHFFFAOYSA-N
SMILES:
OCc1nc2c(s1)CC(CC2)C
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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