2-N-PENTYLTHIOPHENE

CAT: 1489-N7620-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:1489-N7620-01Size:5 g

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CAS Number

4861-58-9

Purity

0.98

Chemical Information

2-Pentylthiophene

2-Pentylthiophene is a member of thiophenes.

CAS Number	4861-58-9
PubChem CID	20995
IUPAC Name	2-pentylthiophene
Molecular Formula	C9H14S
Molecular Weight	154.27
XLogP	4.3
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	80

SMILES

CCCCCC1=CC=CS1

InChI

InChI=1S/C9H14S/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

InChIKey

NOYVOSGVFSEKPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4861-58-9

CID: 20995

Formula: C9H14S

MW: 154.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.27
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	154.08162162
Monoisotopic Mass	154.08162162
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	80.8
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

Catalog	Name
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Catalog	Name
sc-275069	2-n-Pentylthiophene
OR23683-01	2-Pentylthiophene
286565-01	3-Pentylthiophene
OR1079923-01	5-pentylthiophene-2-carbaldehyde
OR1088865-01	2- (methylthio) -5-pentylthiophene
OR1100880-01	2-Bromo-5-pentylthiophene
OR1093221-01	5-pentylthiophene-2-carboxylic acid
TCA74623-01	2-Amino-4-methyl-5-pentylthiophene-3-carboxamide
sc-228802	N, N', N''- (2,2',2''-Nitrilotriethyl) tris (2,2,2-trifluoroacetamide)
HAA29133	2,2,2-Trichloro-N, N-dimethylacetamide