AG00ACDO

1710-66-3 | (Isothiazol-5-yl)methanol

AG00ACDO

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CAS Number	1710-66-3
Catalog Number	AG00ACDO(AGN-PC-0JSW20)
Chemical Name	(Isothiazol-5-yl)methanol
IUPAC Name	1,2-thiazol-5-ylmethanol
InChI	InChI=1S/C4H5NOS/c6-3-4-1-2-5-7-4/h1-2,6H,3H2
InChI Key	VDJLMGHKRZLAFP-UHFFFAOYSA-N
MDL Number	MFCD16497122
Molecular Formula	C4H5NOS
Molecular Weight	115.1536
SMILES	OCC1=CC=NS1
Synonyms	Isothiazol-5-ylmethanol, 1710-66-3, 5-Isothiazolemethanol, Isothiazol-5-yl-methanol, (Isothiazol-5-yl)methanol, 1,2-thiazol-5-ylmethanol, isothiazole-5-methanol, 5-(Hydroxymethyl)isothiazole, AC1LBL1H, AC1Q7CCS, 5-Isothiazolylmethanol #, SCHEMBL3150130, CTK4D3812, DTXSID20339900, VDJLMGHKRZLAFP-UHFFFAOYSA-N, 8796AA, ANW-66343, MFCD16497122, ZINC66308970, AKOS015951429, WT82354, AS-36210, AB1010074, AJ-115826, TC-155088, BB 0261366, FT-0734993, Z-7386, 5-Isothiazolemethanol; Isothiazole-5-methanol; (Isothiazol-5-yl)methanol, C4H5NOS, AR-1G8631, CID559799, ACN-044739, 17201-43-3,

Complexity	59.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	115.009g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	115.15g/mol
Monoisotopic Mass	115.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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