α- (1-Methylethyl) -2-benzothiazolemethanol

CAT: 0127-OR1081063Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1081063Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

120821-91-2

Smiles

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

Chemical Information

2-Benzothiazolemethanol,alpha-(1-methylethyl)-(9CI)

CAS Number	120821-91-2
PubChem CID	20687757
IUPAC Name	1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-ol
Molecular Formula	C11H13NOS
Molecular Weight	207.29
XLogP	2.9
Topological Polar Surface Area	61.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	198

SMILES

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

InChI

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

InChIKey

OXUBPBOAVXPHDK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120821-91-2

CID: 20687757

Formula: C11H13NOS

MW: 207.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.29
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	207.07178521
Monoisotopic Mass	207.07178521
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	198
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
OR1081062-01	α-Propyl-2-benzothiazolemethanol
OR1094982-01	α-Ethyl-2-benzothiazolemethanol
OR1088160-01	α-Cyclopropyl-2-benzothiazolemethanol
OR1081064-01	α-Cyclohexyl-2-benzothiazolemethanol
OR1090252-01	α-cyclopentyl-2-Benzothiazolemethanol
OR1080490-01	α- (4-Methylphenyl) -2-benzothiazolemethanol
OR1098172	α- (4-Methoxyphenyl) -2-benzothiazolemethanol
OR1094161-01	α- (4-Bromophenyl) -2-benzothiazolemethanol
OR1088689-01	α-Methyl-α-phenyl-2-benzothiazolemethanol
OR1002443-01	2- (1-Methylethyl) pyrimidine

Catalog	Name
TRC-M604980-500MG	1-Methylethyl 2-Propylpentanoate
AR-B08118-01	2-Hydroxy-1-Methylethyl Acrylate
LBA17631	Benzene, 1-isothiocyanato-2- (1-methylethyl) -
7073-94-1	1-Bromo-2- (1-methylethyl) benzene
C987593	2-(1-Cyano-1-methylethyl)azocarboxamide
sc-492106	2- (1-Cyano-1-methylethyl) azocarboxamide
sc-296957	1- (2-Chloro-1-methylethyl) pyrrolidinehydrochloride
FC45537-01	(2-Cyclohexyl-1-methylethyl) methylamine
408479-01	1-[ (1-Methylethyl) amino]-3-[4-[[ (1-methylethyl) imino]methyl]phenoxy]-2-propanol
408301-01	1- (Aminomethyl) -2-methyl-2- (1-methylethyl) -cyclopropanemethanol