Indan-5-sulfonyl chloride - CAS 52205-85-3

Catalog:	BB027744
Product Name:	Indan-5-sulfonyl chloride
CAS:	52205-85-3
Synonyms:	2,3-dihydro-1H-indene-5-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2,3-dihydro-1H-indene-5-sulfonyl chloride
Description:	Indan-5-sulfonyl chloride (CAS# 52205-85-3) is a useful research chemical.
Molecular Weight:	216.68
Molecular Formula:	C9H9ClO2S
Canonical SMILES:	C1CC2=C(C1)C=C(C=C2)S(=O)(=O)Cl
InChI:	InChI=1S/C9H9ClO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
InChI Key:	SWLIXMXSCZYVTQ-UHFFFAOYSA-N
Boiling Point:	322.1 °C at 760 mmHg
Density:	1.396 g/cm³
Appearance:	Whits solid
LogP:	3.18360

Publication Number	Title	Priority Date
WO-2021165346-A1	Gcn2 modulator compounds	20200217
WO-2021127333-A1	Trpml modulators	20191219
WO-2021127337-A1	Trpml modulators	20191219
CN-111285806-A	Pyrazole compound and preparation method, application and pharmaceutical composition thereof	20181206
US-2021147398-A1	Novel lxr modulators with bicyclic core moiety	20180628

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[874-87-3]
4-(Methylthio)benzyl chloride
[52147-97-4]
trans-β-Styrenesulfonyl chloride

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.0011784
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.0011784
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8