3-Ethylthiophene

CAT: 0127-OR1010988-01Size: 1 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1010988-01Size:1 mL

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CAS Number

1795-01-3

MDL Number

MFCD00070514

Purity

98%

Smiles

CCC1=CSC=C1

Chemical Information

3-Ethylthiophene

CAS Number	1795-01-3
PubChem CID	74530
IUPAC Name	3-ethylthiophene
Molecular Formula	C6H8S
Molecular Weight	112.19
XLogP	2.8
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	52

SMILES

CCC1=CSC=C1

InChI

InChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3

InChIKey

SLDBAXYJAIRQMX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1795-01-3

CID: 74530

Formula: C6H8S

MW: 112.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.19
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	112.03467143
Monoisotopic Mass	112.03467143
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	52.1
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
OR1092009-01	5-ethylthiophene-3-carbaldehyde
OR1094093-01	3-bromo-4-ethylthiophene
OR1094914-01	3-bromo-2-ethylthiophene
OR911202-01	N-Ethylthiophene-3-carboxamide
OR7250-01	2-Ethylthiophene
OR1080242-01	2,3-dibromo-5-ethylthiophene
OR1071609-01	Methyl 4-ethylthiophene-3-carboxylate
OR927755-01	5-Ethylthiophene-3-carboxylic acid
OR1094736-01	2,3-Dichloro-5-ethylthiophene
OR1093895-01	2-ethylthiophene-3-carboxylic acid

Catalog	Name
274833-01	3-Ethylthiophene
IDA66339-01	3-Bromo-4-ethylthiophene
UIC17603-01	4-Ethylthiophene-3-carbonitrile
sc-284626	5-ethylthiophene-3-carbohydrazide
459040-01	N-Ethylthiophene-3-carboxamide
PHA33007-01	3-Ethylthiophene-2-carboxamide
T203887	2-Ethylthiophene
sc-284627	5-ethylthiophene-3-carboxylic acid
ZCA96584-01	3-Ethylthiophene-2-carboxylic acid
DCA11957-01	2,5-Dibromo-3-ethylthiophene