Thiophene-3-ethanol

CAT: 1489-T6420-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:1489-T6420-01Size:1 g

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CAS Number

13781-67-4

Purity

0.98

Chemical Information

Thiophene-3-ethanol

CAS Number	13781-67-4
PubChem CID	83731
IUPAC Name	2-thiophen-3-ylethanol
Molecular Formula	C6H8OS
Molecular Weight	128.19
XLogP	1.2
Topological Polar Surface Area	48.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	65

SMILES

C1=CSC=C1CCO

InChI

InChI=1S/C6H8OS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2

InChIKey

YYPNNBPPDFTQFX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13781-67-4

CID: 83731

Formula: C6H8OS

MW: 128.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.19
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	128.02958605
Monoisotopic Mass	128.02958605
Topological Polar Surface Area	48.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	65.5
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

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