2,5-Dichlorothiophene-3-sulfonamide - CAS 53595-68-9

Catalog:	BB028284
Product Name:	2,5-Dichlorothiophene-3-sulfonamide
CAS:	53595-68-9
Synonyms:	2,5-dichlorothiophene-3-sulfonamide

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2,5-dichlorothiophene-3-sulfonamide
Description:	2,5-Dichlorothiophene-3-sulfonamide (CAS# 53595-68-9) is a useful research chemical.
Molecular Weight:	232.11
Molecular Formula:	C4H3Cl2NO2S2
Canonical SMILES:	C1=C(SC(=C1S(=O)(=O)N)Cl)Cl
InChI:	InChI=1S/C4H3Cl2NO2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H,(H2,7,8,9)
InChI Key:	BUQKISCVZMIFEF-UHFFFAOYSA-N
Boiling Point:	386.6 °C at 760 mmHg
Melting Point:	131-135 °C
Purity:	98 %
Density:	1.761 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00767573
LogP:	3.48340

Publication Number	Title	Priority Date
CN-106047530-A	Carpet sterilizing detergent and preparation method thereof	20160611
CN-106084930-A	A kind of anti-flaming dope and preparation method thereof	20160610
WO-2015061518-A1	Inhibitors of human immunodeficiency virus replication	20131024
CN-102797043-A	Medicinal molecular fragment library and construction method thereof	20110523
CN-102797043-B	Medicinal molecular fragment library and construction process thereof	20110523

PMID	Publication Date	Title	Journal
18182301	20090101	Identification of aquaporin 4 inhibitors using in vitro and in silico methods	Bioorganic & medicinal chemistry

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Related Functional Groups

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5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
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5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.8982261
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.8982261
Rotatable Bond Count:	1
Topological Polar Surface Area:	96.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1