2-Propylthiophene

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CAS Number

1551-27-5

MDL Number

MFCD00014533

Purity

98%

Smiles

CCCC1=CC=CS1

Chemical Information

2-Propylthiophene

CAS Number	1551-27-5
PubChem CID	73771
IUPAC Name	2-propylthiophene
Molecular Formula	C7H10S
Molecular Weight	126.22
XLogP	3.2
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	61

SMILES

CCCC1=CC=CS1

InChI

InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3

InChIKey

BTXIJTYYMLCUHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1551-27-5

CID: 73771

Formula: C7H10S

MW: 126.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.22
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	126.05032149
Monoisotopic Mass	126.05032149
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	61.4
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
OR1097940-01	2- (methylthio) -5-propylthiophene
OR1092062	5-Propylthiophene-2-carbaldehyde
OR1028219-01	3-Propylthiophene
OR1093145-01	2-iodo-5-propylthiophene
OR305587-01	2-Bromo-5-propylthiophene
OR1085121	5-Propylthiophene-2-boronic acid
OR1081654	Ethyl 5-propylthiophene-2-carboxylate
OR1085079	Methyl 5-propylthiophene-2-carboxylate
OR1093220	5-Propylthiophene-2-carboxylic acid
OR318103-01	Ethyl 2-amino-5-propylthiophene-3-carboxylate

Catalog	Name
sc-225540	2-Propylthiophene
N7610-01	2-N-PROPYLTHIOPHENE
REB72901-01	N-Propylthiophene-2-sulfonamide
P28068-01	2-N-Propylthiophene 97%
sc-484943	3-Propylthiophene
IKB14608-01	5-Propylthiophene-2-sulfonyl chloride
TRC-P838603-1G	5-Propylthiophene-2-carboxylic Acid
sc-352750A	5-methyl-4-propylthiophene-2-carbohydrazide
sc-290826	5-bromo-N-propylthiophene-2-carboxamide
sc-306625	2-Amino-5-propylthiophene-3-carboxamide