α-Propyl-2-benzothiazolemethanol

CAT: 0127-OR1081062-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1081062-01Size:250 mg

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CAS Number

120821-89-8

Purity

95%

Smiles

C (CCC) (O) c1nc2c (s1) cccc2

Chemical Information

1-Benzothiazol-2-yl-butan-1-ol

CAS Number	120821-89-8
PubChem CID	45076970
IUPAC Name	1-(1,3-benzothiazol-2-yl)butan-1-ol
Molecular Formula	C11H13NOS
Molecular Weight	207.29
XLogP	2.8
Topological Polar Surface Area	61.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	188

SMILES

CCCC(C1=NC2=CC=CC=C2S1)O

InChI

InChI=1S/C11H13NOS/c1-2-5-9(13)11-12-8-6-3-4-7-10(8)14-11/h3-4,6-7,9,13H,2,5H2,1H3

InChIKey

QUALWCUMELJQRF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120821-89-8

CID: 45076970

Formula: C11H13NOS

MW: 207.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.29
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	207.07178521
Monoisotopic Mass	207.07178521
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	188
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1081064-01	α-Cyclohexyl-2-benzothiazolemethanol
OR1090252-01	α-cyclopentyl-2-Benzothiazolemethanol
OR1088160-01	α-Cyclopropyl-2-benzothiazolemethanol
OR1094982-01	α-Ethyl-2-benzothiazolemethanol
OR1098172	α- (4-Methoxyphenyl) -2-benzothiazolemethanol
OR1080490-01	α- (4-Methylphenyl) -2-benzothiazolemethanol
OR1094161-01	α- (4-Bromophenyl) -2-benzothiazolemethanol
OR1088689-01	α-Methyl-α-phenyl-2-benzothiazolemethanol
OR1081063	α- (1-Methylethyl) -2-benzothiazolemethanol
OR1053321-01	Propyl 2-oxopropanoate

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