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α-Cyclohexyl-2-benzothiazolemethanol

CAT: 0127-OR1081064-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1081064-01Size:250 mg
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CAS Number
120821-92-3
Purity
95%
Smiles
C (O) (c1nc2c (s1) cccc2) C1CCCCC1

Chemical Information

alpha-Cyclohexyl-2-benZothiaZolemethanol
CAS Number120821-92-3
PubChem CID177684171
IUPAC Name1,3-benzothiazol-2-yl(cyclohexyl)methanol
Molecular FormulaC14H17NOS
Molecular Weight247.36
XLogP3.9
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity255
SMILES
C1CCC(CC1)C(C2=NC3=CC=CC=C3S2)O
InChI
InChI=1S/C14H17NOS/c16-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)17-14/h4-5,8-10,13,16H,1-3,6-7H2
InChIKey
ZELFCYIXHAFJHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Cyclohexyl-2-benZothiaZolemethanol
CAS: 120821-92-3
CID: 177684171
Formula: C14H17NOS
MW: 247.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.36
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass247.10308534
Monoisotopic Mass247.10308534
Topological Polar Surface Area61.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity255
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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