2,3,5-Trichlorothiophene

CAT: 0127-OR1042529-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1042529-01Size:100 mg

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CAS Number

17249-77-3

Purity

97%

Smiles

Clc1sc(c(c1)Cl)Cl

Chemical Information

Thiophene, 2,3,5-trichloro-

CAS Number	17249-77-3
PubChem CID	123374
IUPAC Name	2,3,5-trichlorothiophene
Molecular Formula	C4HCl3S
Molecular Weight	187.5
XLogP	4.2
Topological Polar Surface Area	28.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	87

SMILES

C1=C(SC(=C1Cl)Cl)Cl

InChI

InChI=1S/C4HCl3S/c5-2-1-3(6)8-4(2)7/h1H

InChIKey

AZIFHMYTYFPVMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17249-77-3

CID: 123374

Formula: C4HCl3S

MW: 187.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.5
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	185.886454
Monoisotopic Mass	185.886454
Topological Polar Surface Area	28.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	87.4
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
OR1041890-01	3,4,5-Trichlorothiophene-2-carboxylic acid
OR1028130-01	2,4,5-Trichlorothiophenol
OR1074974-01	1- (3,4,5-Trichlorothiophen-2-yl) ethan-1-one
OR1066615-01	5,5''-Dibromo-3,3''-dihexyl-2,2':5',2''-terthiophene
OR1045553-01	3,3'''-Didodecyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1063804-01	3,3'''-Dioctyl-2,2':5',2'':5'',2'''-quaterthiophene
OR1010734-01	3,3’’’-Dihexyl-2,2’:5’,2’’:5’’,2’’’-Quaterthiophene
OR54633	3,3',5,5'-Tetrabromo-2,2'-bithiophene
OR1032441-01	3,3',5,5'-Tetramethyl-2,2'-biphenol
OR1027690-01	5,5'-Dibromo-3,3'-Dihexyl-2,2'-Bithiophene

Catalog	Name
sc-266027	2,3,5-Trichlorothiophene
sc-266908	3,4,5-Trichlorothiophene-2-carbonyl chloride
FT161215-01	3,4,5-Trichlorothiophene-2-carboxylic acid
KBA69404-01	2,2',3,3',5,5'-Hexachlorobiphenyl
PBA63532-01	2,3,3',5,5'-Pentachlorobiphenyl
sc-477013	3,3',5,5'-Tetrabromo-2,2'-bithiophene
AQ A1 0021-01	2,2,3,5,5-pentamethylhexan-3-ol
15131983	2,3,5-Collidine (2,3,5-Trimethylpyridine)
HY-W718588S	2,2',3,3',5,5'-Hexachlorobiphenyl-13C12
JH919697	3-[ () ]-5--2-