3- (Pentyloxy) thiophene

CAT: 0127-OR1061026-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1061026-01Size:100 mg

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CAS Number

148855-96-3

Purity

98%

Smiles

CCCCCOC1=CSC=C1

Chemical Information

Thiophene, 3-(pentyloxy)-

CAS Number	148855-96-3
PubChem CID	12118487
IUPAC Name	3-pentoxythiophene
Molecular Formula	C9H14OS
Molecular Weight	170.27
XLogP	3.4
Topological Polar Surface Area	37.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	95

SMILES

CCCCCOC1=CSC=C1

InChI

InChI=1S/C9H14OS/c1-2-3-4-6-10-9-5-7-11-8-9/h5,7-8H,2-4,6H2,1H3

InChIKey

NJAURUMTVMVSGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 148855-96-3

CID: 12118487

Formula: C9H14OS

MW: 170.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.27
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	170.07653624
Monoisotopic Mass	170.07653624
Topological Polar Surface Area	37.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	95.6
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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