2-Iodothiophene - CAS 3437-95-4

Catalog:	BB022104
Product Name:	2-Iodothiophene
CAS:	3437-95-4
Synonyms:	Thiophene, 2-iodo-; 2-Thienyl iodide; NSC 1082; α-Iodothiophene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

Related CAS:	149762-92-5 (homopolymer)
IUPAC Name:	2-iodothiophene
Molecular Weight:	210.04
Molecular Formula:	C4H3IS
Canonical SMILES:	C1=CSC(=C1)I
InChI:	InChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H
InChI Key:	ROIMNSWDOJCBFR-UHFFFAOYSA-N
Boiling Point:	181°C
Melting Point:	-40°C
Purity:	≥95%
Density:	2.079±0.06 g/cm3
Appearance:	Colorless to light yellow liquid
Storage:	Store at 2-8°C
MDL:	MFCD00005424
LogP:	2.35270

Publication Number	Title	Priority Date
CN-113292509-A	Aromatic thioether compound and preparation method and application thereof	20210611
CN-112390736-A	Preparation method of methyl sulfone compound	20201209
CN-112375036-A	Preparation method of 2-arylthio pyridine-N-oxide and derivatives thereof	20201124
CZ-34625-U1	Purine nucleoside phosphorylase inhibitors for the treatment of T-cell acute lymphoblastic leukemia and lymphomas	20201026
CN-111662147-A	Process for preparing diynes and analogues thereof	20200703

PMID	Publication Date	Title	Journal
21452182	20110426	Synthesis of redox-active, intramolecular charge-transfer chromophores by the [2+2] cycloaddition of ethynylated 2H-cyclohepta[b]furan-2-ones with tetracyanoethylene	Chemistry (Weinheim an der Bergstrasse, Germany)
21579486	20100522	2-Iodo-5-nitro-thio-phene	Acta crystallographica. Section E, Structure reports online
21577935	20090919	Bis(2-thien-yl)acetyl-ene	Acta crystallographica. Section E, Structure reports online
19063568	20081207	Resonance Raman study of the A-band short-time photodissociation dynamics of 2,5-di-iodothiophene	The Journal of chemical physics
21581429	20081126	9-(2-Thien-yl)-9H-carbazole	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Halides

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1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
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[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene

Thiophenes

[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate
[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
[4815-36-5]
Ethyl 2-amino-4-phenylthiophene-3-carboxylate

GHS Hazard Statement:	H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	46.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.90002
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.90002
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6