Home Nitro Compounds 2941-66-4
2941-66-4,MFCD00602735
Catalog No.:AA003HKV
2941-66-4 | 2-Methyl-5-nitrobenzo[d]thiazole
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Technical Information
Catalog Number:
AA003HKV
Chemical Name:
2-Methyl-5-nitrobenzo[d]thiazole
CAS Number:
2941-66-4
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD00602735
IUPAC Name:
2-methyl-5-nitro-1,3-benzothiazole
InChI:
InChI=1S/C8H6N2O2S/c1-5-9-7-4-6(10(11)12)2-3-8(7)13-5/h2-4H,1H3
InChI Key:
VEWGTWPJKSPGCD-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)cc(cc2)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
2-Methyl-5-nitrobenzothiazole 
2941-66-4 
SCHEMBL84324 
CBDivE_000815 
DTXSID9062722 
CTK4G3249 
Benzothiazole,2-methyl-5-nitro- 
VEWGTWPJKSPGCD-UHFFFAOYSA-N 
ZINC294923 
BBL015761 
MFCD00602735 
STK396242 
2-Methyl-5-nitrobenzo[d]thiazole 
2-Methyl-5-nitrobenzothiazole, 97% 
AKOS000115160 
AKOS015889436 
MCULE-6302471878 
AJ-18996 
ZB010237 
TC-170438 
ST50322252 
L-2744 
J-017501 
2-methyl-5-nitro-benzothiazole 
I01-18192 
F1034-0108 
InChI=1/C8H6N2O2S/c1-5-9-7-4-6(10(11)12)2-3-8(7)13-5/h2-4H,1H 
C8-H6-N2-O2-S 
CID76251 
AR-1E3750 
ZINC00294923 
Benzothiazole, 2-methyl-5-nitro- (6CI,7CI,8CI,9CI) 
30165-79-8 
Benzothiazole, 2-methyl-5-nitro- 
2-methyl-5-nitro-1,3-benzothiazole 
AC1L2QHV 
AC1Q1YVN 
methyl-nitro-benzothiazole 
ACMC-1CG4G 
Literature
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