2-Methyl-5-nitrobenzothiazole

CAT: 0024-sc-230528Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-230528Size:5 g

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CAS Number

2941-66-4

Chemical Information

Benzothiazole, 2-methyl-5-nitro-

CAS Number	2941-66-4
PubChem CID	76251
IUPAC Name	2-methyl-5-nitro-1,3-benzothiazole
Molecular Formula	C8H6N2O2S
Molecular Weight	194.21
XLogP	2.6
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	219

SMILES

CC1=NC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O2S/c1-5-9-7-4-6(10(11)12)2-3-8(7)13-5/h2-4H,1H3

InChIKey

VEWGTWPJKSPGCD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2941-66-4

CID: 76251

Formula: C8H6N2O2S

MW: 194.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.21
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	194.01499861
Monoisotopic Mass	194.01499861
Topological Polar Surface Area	87 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	219
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-229926	2-Amino-6-nitrobenzothiazole
sc-210541	6-Nitrobenzothiazole
sc-274949	2-Mercapto-6-nitrobenzothiazole
sc-235800	Methyl 5-methyl-2-furoate
sc-269544	Methyl 5-methyl-2-hexenoate
sc-308378	2-Methyl-5- (5-methyl-benzooxazol-2-yl) -phenylamine
sc-483072	5-Methyl-2,5-hexadienoic acid methyl ester
sc-279403	Methyl 5-[ (phenylsulfonyl) methyl]-2-furoate
sc-484976	5-Methyl-2-heptanol
sc-228513	Methyl 2,5-dihydroxybenzoate

Catalog	Name
OR74851-01	5-Nitrobenzothiazole-2-thiol
OR300700-01	2-Chloro-5-nitrobenzothiazole
TRC-N493580-50G	6-Nitrobenzothiazole
OR81675-01	2-Amino-7-nitrobenzothiazole
OR480489-01	2-Mercapto-6-nitrobenzothiazole
A25942-01	2-Amino-6-nitrobenzothiazole 97%
M03820-01	2-Mercapto-6-nitrobenzothiazole 96%
OR916942-01	Methyl 5-methyl-2-furoate
OR40553-01	Methyl 2-methyl-5-nitrobenzoate
OR17822	Methyl 5-methyl-2-nitrobenzoate