2-Thiophene Ehanol For Synthesis

CAT: 1442-11912150 100Size: 100 mLDry Ice: NoHazardous: No

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CAT#:1442-11912150 100Size:100 mL

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CAS Number

5402-55-1

Molecular Formula

C6H8OS

Molecular Weight

128.19

HSN Code

29349990

Chemical Information

2-Thiopheneethanol

2-(2-Thienyl)ethanol is a heteroarene.

CAS Number	5402-55-1
PubChem CID	79400
IUPAC Name	2-thiophen-2-ylethanol
Molecular Formula	C6H8OS
Molecular Weight	128.19
XLogP	1.3
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(=C1)CCO

InChI

InChI=1S/C6H8OS/c7-4-3-6-2-1-5-8-6/h1-2,5,7H,3-4H2

InChIKey

VMJOFTHFJMLIKL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5402-55-1

CID: 79400

Formula: C6H8OS

MW: 128.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.19
XLogP3	1.3
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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