Tetrachlorothiophene - CAS 6012-97-1

Catalog:	BB030600
Product Name:	Tetrachlorothiophene
CAS:	6012-97-1
Synonyms:	2,3,4,5-tetrachlorothiophene

Technical Data

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Computed Properties

IUPAC Name:	2,3,4,5-tetrachlorothiophene
Description:	Tetrachlorothiophene (CAS# 6012-97-1) is chlorinated derivative of Thiophene (T368080), which is used as a building block of various organic molecules and pharmaceuticals providing functional properties.
Molecular Weight:	221.92
Molecular Formula:	C4Cl4S
Canonical SMILES:	C1(=C(SC(=C1Cl)Cl)Cl)Cl
InChI:	InChI=1S/C4Cl4S/c5-1-2(6)4(8)9-3(1)7
InChI Key:	WZXXZHONLFRKGG-UHFFFAOYSA-N
Boiling Point:	75 °C (2 mmHg)
Purity:	98 %
Density:	1.704 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00005422
LogP:	4.36170

Publication Number	Title	Priority Date
CN-113467818-A	Application processing method, mobile terminal and storage medium	20210721
JP-2021152037-A	Heterocyclic amide compound	20210611
JP-2021006524-A	Heterocyclic compound	20200626
CN-111708703-A	Test case set generation method, device, equipment and computer readable storage medium	20200618
CN-111705057-A	SiRNA of schistosoma japonicum SjGST gene and application thereof	20200531

PMID	Publication Date	Title	Journal
25628927	20150101	Poly(ADP-ribose) glycohydrolase silencing down-regulates TCTP and Cofilin-1 associated with metastasis in benzo(a)pyrene carcinogenesis	American journal of cancer research
22341400	20120401	Biomarker responses of earthworms (Eisenia fetida) exposured to phenanthrene and pyrene both singly and combined in microcosms	Chemosphere
22428011	20120101	Characterization of a novel binding protein for Fortilin/TCTP--component of a defense mechanism against viral infection in Penaeus monodon	PloS one
22500178	20120101	Molecular Cloning and Sequence Analysis of the cDNAs Encoding Toxin-Like Peptides from the Venom Glands of Tarantula Grammostola rosea	International journal of peptides
22649730	20120101	TCTP in development and cancer	Biochemistry research international

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Related Functional Groups

Thiophenes

[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate
[438220-53-2]
Ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
[350989-99-0]
Ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	96.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.844532
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.847482
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8