2,3-Dimethylthiophene

CAT: 0127-OR7265Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR7265Size:1 g

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CAS Number

632-16-6

MDL Number

MFCD00130081

Smiles

Cc1ccsc1C

Chemical Information

2,3-Dimethylthiophene

CAS Number	632-16-6
PubChem CID	34295
IUPAC Name	2,3-dimethylthiophene
Molecular Formula	C6H8S
Molecular Weight	112.19
XLogP	2.4
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	61

SMILES

CC1=C(SC=C1)C

InChI

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

InChIKey

BZYUMXXOAYSFOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 632-16-6

CID: 34295

Formula: C6H8S

MW: 112.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.19
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	112.03467143
Monoisotopic Mass	112.03467143
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	61.2
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
OR1093257-01	2-chloro-3,5-dimethylthiophene
OR1101029-01	3-Bromo-2,5-dimethylthiophene
OR910356-01	N,3-Dimethylthiophene-2-carboxamide
OR10156-01	3-Acetyl-2,5-dimethylthiophene
OR1093954	3-Bromo-2,4-dimethylthiophene
OR1093258-01	2,4-dimethylthiophene-3-carbaldehyde
OR6179-01	2,5-Dimethylthiophene-3-carboxaldehyde
OR1061091-01	3-Ethynyl-2,5-dimethylthiophene
OR1097175-01	3-Chloro-2,5-dimethylthiophene
OR302194	3-Iodo-2,5-dimethylthiophene

Catalog	Name
TRC-D461633-50MG	2,3-Dimethylthiophene
QFA64660-01	2,5-Dimethylthiophene-3-sulfonamide
QBA19702-01	3-Iodo-2,5-dimethylthiophene
TRC-A174860-500MG	3-Acetyl-2,5-dimethylthiophene
PMC91696-01	3,5-Dimethylthiophene-2-thiol
FB168681	2-Bromo-3,5-dimethylthiophene
459726-01	N,3-Dimethylthiophene-2-carboxamide
GBA81937	3-Bromo-2,5-dimethylthiophene
UKC96629-01	3,5-Dimethylthiophene-2-sulfonamide
FB141327	3-Bromo-2,4-dimethylthiophene