Home Carboxes 1006-99-1
1006-99-1,MFCD00022881
Catalog No.:AA0002E5
1006-99-1 | 5-Chloro-2-methylbenzothiazole
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$22.00   $15.00
- +
5g
97%
in stock  
$57.00   $40.00
- +
25g
97%
in stock  
$172.00   $120.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
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Technical Information
Catalog Number:
AA0002E5
Chemical Name:
5-Chloro-2-methylbenzothiazole
CAS Number:
1006-99-1
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD00022881
IUPAC Name:
5-chloro-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChI Key:
XCALAYIRFYALSX-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(s2)C
EC Number:
213-746-9
NSC Number:
8453
Properties
Computed Properties
 
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.991g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.653g/mol
Monoisotopic Mass:
182.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
5-Chloro-2-methylbenzothiazole 
1006-99-1 
BRN 0120802 
2-methyl-5-chloro benzothiazole 
2-Methyl-5-chloro-benzothiazole 
XCALAYIRFYALSX-UHFFFAOYSA-N 
MFCD00022881 
5-CHLORO-2-METHYL BENZOTHIAZOLE 
2-metyl-5-chloro-benzothiazole 
NSC8453 
PubChem10878 
ACMC-2097ru 
5-chloro-2-methylbenzo[d]thiazole 
AC1L22NZ 
AC1Q2PD9 
Cambridge id 5107825 
4-27-00-01086 (Beilstein Handbook Reference) 
KSC499C8B 
SCHEMBL1049510 
Jsp000154 
DTXSID0061402 
CTK3J9180 
Benzothiazole,5-chloro-2-methyl- 
2-methyl-5-chlorobenzothiazole 
ZINC294925 
WLN: T56 BN DSJ C1 HG 
EBD41966 
KS-00000VT0 
NSC-8453 
ANW-14344 
SBB059461 
STK396249 
5-Chloro-2-methylbenzothiazole, 97% 
AKOS000121462 
BENZOTHIAZOLE, 5-CHLORO-2-METHYL- 
MCULE-8516460942 
NE10847 
RP24430 
VT10110 
5-Chloro-2-methyl-1,3-benzothiazole # 
AC-15246 
AJ-18997 
AN-48281 
AS-12866 
BP-12408 
5-Chloro-2-methyl-1,3-benzothiazole 
LS-40720 
SC-46613 
SY036182 
ZB010238 
DB-029121 
TC-103089 
TL8006913 
4CH-021926 
CS-0037554 
FT-0620269 
USAF EK-P-4382 
ST24044619 
ST50909179 
EN300-21184 
MFCD00022881 (97%) 
I01-2982 
W-108946 
F9995-1151 
InChI=1/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H 
C8H6ClNS 
Indol-5-yl methyl ether 
5-Chloro-2-methyl-benzothiazole 
C8-H6-Cl-N-S 
CID13873 
C1475 
A16218 
5-Chloro-2-methylbenzothiazole, 99% - 100G 100g 
Benzothiazole, 5-chloro-2-methyl- (6CI,7CI,8CI,9CI) 
NSC 8453 
EINECS 213-746-9 
Literature
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