AG00DBPT

51868-95-2 | 1-Benzo[b]thiophen-2-yl-ethanol

AG00DBPT

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CAS Number	51868-95-2
Catalog Number	AG00DBPT(AGN-PC-0SBLQQ)
Chemical Name	1-Benzo[b]thiophen-2-yl-ethanol
IUPAC Name	1-(1-benzothiophen-2-yl)ethanol
InChI	InChI=1S/C10H10OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7,11H,1H3
InChI Key	UEPZZRRTVYYLEX-UHFFFAOYSA-N
MDL Number	MFCD05149426
Molecular Formula	C10H10OS
Molecular Weight	178.2508
SMILES	c1ccc2c(c1)cc(s2)C(C)O
Synonyms	51868-95-2, 1-Benzo[b]thiophen-2-yl-ethanol, 1-(Benzo[b]thiophen-2-yl)ethanol, 1-(1-benzothiophen-2-yl)ethanol, Zileuton Impurity 1, AC1NPOIA, PubChem14794, 1-(benzothiophen-2-yl)ethanol, SCHEMBL1444769, 1-Benzo[b]thiophen-2-ylmethanol, DTXSID80409239, KS-00001AV4, AC-978, MFCD05149426, 1-(1-benzothiophen-2-yl)ethan-1-ol, AKOS006293695, AN-2618, AM806193, BC224959, DB-013788, Benzo[b]thiophene-2-methanol, alpha-methyl-, CS-0038997, FT-0659049, 868B952, A828822, 1-benzothiophen-2-ylethanol, 1-benzothiophen-2-yl-ethanol, CID5182453,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.045g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.249g/mol
Monoisotopic Mass	178.045g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	48.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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