3-Iodothiophene - CAS 10486-61-0

Catalog:	BB001499
Product Name:	3-Iodothiophene
CAS:	10486-61-0
Synonyms:	3-iodothiophene

Technical Data

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Computed Properties

IUPAC Name:	3-iodothiophene
Description:	3-Iodothiophene (CAS# 10486-61-0) is a useful research chemical.
Molecular Weight:	210.04
Molecular Formula:	C4H3IS
Canonical SMILES:	C1=CSC=C1I
InChI:	InChI=1S/C4H3IS/c5-4-1-2-6-3-4/h1-3H
InChI Key:	WGKRMQIQXMJVFZ-UHFFFAOYSA-N
Boiling Point:	75 °C (14 mmHg)
Purity:	> 95.0 % (GC)
Density:	2.066 g/cm³
Appearance:	Liquid
MDL:	MFCD00037901
LogP:	2.35270

Publication Number	Title	Priority Date
CN-113512051-A	Preparation method of borazen-aza-benzene shunt-thiophene viologen derivatives and application of borazen-aza-benzene shunt-thiophene viologen derivatives in electrochromic device	20210625
CN-113429331-A	Chiral hexahydroindole derivative and preparation method thereof	20210408
JP-2021093377-A	Method for manufacturing conductive particles	20210304
JP-2021028982-A	Conductive compositions, thermoelectric conversion materials, and thermoelectric conversion elements	20201104
WO-2021205873-A1	Conductive polymer composition, substrate, and method for producing substrate	20200406

PMID	Publication Date	Title	Journal
22849763	20120907	An iodocyclization approach to substituted 3-iodothiophenes	The Journal of organic chemistry
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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GHS Hazard Statement:	H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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