Isothiazol-5-Ylmethanol

CAT: 1299-RG-A261997-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261997-01Size:10 mg

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

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CAS Number

1710-66-3

Synonyms

Isothiazol-5-ylmethanol

Molecular Formula

C4H5NOS

Molecular Weight

115.15

Product Name Synonym

Isothiazol-5-ylmethanol

Chemical Information

(1,2-Thiazol-5-yl)methanol

CAS Number	1710-66-3
PubChem CID	559799
IUPAC Name	1,2-thiazol-5-ylmethanol
Molecular Formula	C4H5NOS
Molecular Weight	115.16
XLogP	0.1
Topological Polar Surface Area	61.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	59

SMILES

C1=C(SN=C1)CO

InChI

InChI=1S/C4H5NOS/c6-3-4-1-2-5-7-4/h1-2,6H,3H2

InChIKey

VDJLMGHKRZLAFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1710-66-3

CID: 559799

Formula: C4H5NOS

MW: 115.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	115.16
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	115.00918496
Monoisotopic Mass	115.00918496
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	59.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-T200801-01	Thiazol-5-Ylmethanol
RG-A261696-01	Pyridin-2-Ylmethanol
RG-P251828-01	Pyridin-4-Ylmethanol
RG-B051402-01	Benzo[D][1,3]Dioxol-5-Ylmethanol
RG-A260262-01	Furan-3-Ylmethanol
RG-T200802-01	Thiazol-2-Ylmethanol
RG-A260346-01	Piperazin-1-Ylmethanol
RG-P022682-01	Piperidin-1-Ylmethanol
RG-B061020-01	Benzo[C][1,2,5]Oxadiazol-4-Ylmethanol
RG-B051454-01	Benzo[4,5]Thiazolo[2,3-C][1,2,4]Triazol-5-Ylmethanol

Catalog	Name
TRC-B300303-1G	Benzo[c]isothiazol-5-ylmethanol
OR89037-01	Isothiazol-3-ylmethanol
OR1072629-01	Indolin-5-ylmethanol
OR87930-01	Isoindolin-5-ylmethanol
GBA82305	Benzofuran-5-ylmethanol
AL BD 1523-01	Isoquinolin-5-ylmethanol
SDA81550-01	Isothiazol-5-amine hydrochloride
GTR19251610-01	1-Benzofuran-5-ylmethanol
GTR19252324-01	1-Benzothiophen-5-ylmethanol
GTR19251707-01	1H-benzimidazol-5-ylmethanol