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1211508-40-5 | (5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTATHIAZOL-2-YL)-METHANOL
CAS No: 1211508-40-5 Catalog No: AG01E6IU MDL No:MFCD17251217
Product Description
Catalog Number:
AG01E6IU
Chemical Name:
(5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTATHIAZOL-2-YL)-METHANOL
CAS Number:
1211508-40-5
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD17251217
IUPAC Name:
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol
InChI:
InChI=1S/C9H13NOS/c11-6-9-10-7-4-2-1-3-5-8(7)12-9/h11H,1-6H2
InChI Key:
BFZRRWYKJHJXJE-UHFFFAOYSA-N
SMILES:
OCc1nc2c(s1)CCCCC2
Properties
Complexity:
154
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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