α,4-Dimethyl-5-thiazolemethanol

CAT: 0127-OR1092439-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1092439-01Size:250 mg

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CAS Number

45657-12-3

Purity

95%

Smiles

C (C) (O) c1c (C) ncs1

Chemical Information

1-(4-Methyl-1,3-thiazol-5-yl)ethan-1-ol

chlormethiazole metabolite

CAS Number	45657-12-3
PubChem CID	581758
IUPAC Name	1-(4-methyl-1,3-thiazol-5-yl)ethanol
Molecular Formula	C6H9NOS
Molecular Weight	143.21
XLogP	0.9
Topological Polar Surface Area	61.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	99

SMILES

CC1=C(SC=N1)C(C)O

InChI

InChI=1S/C6H9NOS/c1-4-6(5(2)8)9-3-7-4/h3,5,8H,1-2H3

InChIKey

NKLZSLYZLRJWOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 45657-12-3

CID: 581758

Formula: C6H9NOS

MW: 143.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.21
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	143.04048508
Monoisotopic Mass	143.04048508
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
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
OR1081076-01	α-Cyclopropyl-4,5-dimethyl-2-thiazolemethanol
OR1085362-01	4,5-Dimethyl-α-phenyl-2-thiazolemethanol
OR1093809-01	α,4-Dimethyl-2-thiazolemethanol
OR1087831-01	2-Chloro-α, α-dimethyl-5-thiazolemethanol
OR1040704-01	5-Bromo-a, a-dimethyl-2-thiazolemethanol
OR1080133-01	4-Methyl-α-phenyl-5-thiazolemethanol
OR1093782-01	α,4,5-Trimethyl-2-thiazolemethanol
OR929547-01	2,4-Dichloro-5-thiazolemethanol
OR1092325	α-Methyl-5-thiazolemethanol
OR1083305-01	2,4-Dichloro-α-phenyl-5-thiazolemethanol

Catalog	Name
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BSB46324-01	α, α-Dimethyl-4-[ (methylamino) methyl]-2-thiazolemethanol hydrochloride
021719	5-Thiazolemethanol-13C3
TRC-D474700-25MG	Alpha,Alpha-Dimethyl-4-[(methylamino)methyl]-2-thiazolemethanol Hydrochloride
GTR19252091-01	5-Thiazolemethanol, 4-methyl-2- (3-pyridinyl) -
TRC-M331651-25MG	2-Methyl-D₃-4-thiazolemethanol
TRC-D471005-1G	2-[(Dimethylamino)methyl]-4-thiazolemethanol
TRC-P874590-100MG	2-(3-Pyridinyl)-4-thiazolemethanol