N-tert-Butyl 2-Thiophenesulfonamide - CAS 100342-30-1

Catalog:	BB000182
Product Name:	N-tert-Butyl 2-Thiophenesulfonamide
CAS:	100342-30-1
Synonyms:	N-tert-butyl-2-thiophenesulfonamide; N-tert-butylthiophene-2-sulfonamide

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Computed Properties

IUPAC Name:	N-tert-butylthiophene-2-sulfonamide
Description:	N-tert-Butyl 2-Thiophenesulfonamide (CAS# 100342-30-1) is a useful research chemical.
Molecular Weight:	219.32
Molecular Formula:	C8H13NO2S2
Canonical SMILES:	CC(C)(C)NS(=O)(=O)C1=CC=CS1
InChI:	InChI=1S/C8H13NO2S2/c1-8(2,3)9-13(10,11)7-5-4-6-12-7/h4-6,9H,1-3H3
InChI Key:	CLKMBGGZGFULOO-UHFFFAOYSA-N
Boiling Point:	321 ℃
Density:	1.224 g/cm³
Appearance:	Off-white crystals
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD02047252
LogP:	3.29660

Publication Number	Title	Priority Date
US-2021024498-A1	Tetrahydropyrrole compound, preparation method therefor, pharmaceutical composition containing same, and use thereof	20171226
CN-109715615-A	Biaryl methyl heterocycles	20160629
KR-20190025639-A	Biaryl methyl heterocycle	20160629
US-2014046043-A1	C-4" position substituted macrolide derivative	20110221
US-9139609-B2	C-4â€³ position substituted macrolide derivative	20110221

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.03877100
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.03877100
Rotatable Bond Count:	3
Topological Polar Surface Area:	82.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1