3-Methyl-5-nitrobenzo[d]isothiazole - CAS 35272-19-6

Name: 3-Methyl-5-nitrobenzo[d]isothiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022585
Product Name:	3-Methyl-5-nitrobenzo[d]isothiazole
CAS:	35272-19-6
Synonyms:	3-methyl-5-nitro-1,2-benzothiazole; 3-methyl-5-nitro-1,2-benzothiazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methyl-5-nitro-1,2-benzothiazole
Description:	3-Methyl-5-nitrobenzo[d]isothiazole (CAS# 35272-19-6) is a useful research chemical.
Molecular Weight:	194.21
Molecular Formula:	C8H6N2O2S
Canonical SMILES:	CC1=NSC2=C1C=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C8H6N2O2S/c1-5-7-4-6(10(11)12)2-3-8(7)13-9-5/h2-4H,1H3
InChI Key:	UUOMNUMWKBVHNG-UHFFFAOYSA-N
Boiling Point:	260.6 °C at 760 mmHg
Density:	1.445 g/cm³
MDL:	MFCD01830323
LogP:	3.03610

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

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Publication Number	Title	Priority Date
US-2007135631-A1	Heterocyclic cetp inhibitors	20051123
US-2010267669-A1	Heterocyclic cetp inhibitors	20051123
US-2012322761-A1	Heterocyclic cetp inhibitors	20051123
US-7790770-B2	Heterocyclic CETP inhibitors	20051123
US-8304403-B2	Heterocyclic CETP inhibitors	20051123

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.01499861
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.01499861
Rotatable Bond Count:	0
Topological Polar Surface Area:	87
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6