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3176-77-0,MFCD00142939
Catalog No.:AA003HI1
3176-77-0 | 2-METHYL-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM INNER SALT
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1g
1 week  
$243.00
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5g
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$715.00
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10g
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$1,333.00
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25g
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$2,603.00
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Technical Information
Catalog Number:
AA003HI1
Chemical Name:
2-METHYL-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM INNER SALT
CAS Number:
3176-77-0
MDL Number:
MFCD00142939
IUPAC Name:
3-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate
InChI:
InChI=1S/C15H15NO3S2/c1-11-16(9-4-10-21(17,18)19)15-13-6-3-2-5-12(13)7-8-14(15)20-11/h2-3,5-8H,4,9-10H2,1H3
InChI Key:
DTCXTTJRDSLBBR-UHFFFAOYSA-N
EC Number:
221-646-1
Properties
Computed Properties
 
Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.049g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.409g/mol
Monoisotopic Mass:
321.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
3176-77-0 
2-Methyl-1-(3-sulphonatopropyl)naphtho(1,2-d)thiazolium 
AC1L2SOV 
AC1Q22OH 
AC1Q2D2E 
SCHEMBL7250099 
Jsp005903 
CTK8D5558 
2-Methyl-3-(3'-sulfopropyl)(1,2-d)naphthothiazolium betaine 
BBL005380 
MFCD00142939 
STK396418 
2-METHYL-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM INNER SALT 
AKOS000507416 
ACM3176770 
MCULE-2975855636 
AN-25158 
BAS 00481278 
FT-0612933 
H2625 
ST50320301 
3-(2-methylbenzo[e]benzothiazolyl)propanesulfonic acid 
I14-49086 
3-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate 
2-methyl-1-(3-sulfonatopropyl)naphtho[1,2-d][1,3]thiazol-1-ium 
2-Methyl-1-(3-sulfopropyl)naphtho[1,2-delta]thiazolium hydroxide 
C15H15NO3S2 
AR-1E3283 
C15-H15-N-O3-S2 
CID102378 
ZINC01919899 
2-methyl-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium 
Naphtho[1,2-d]thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt 
33021-91-9 
3-(2-methylnaphtho[1,2-d][1,3]thiazol-1-ium-1-yl)propane-1-sulfonate 
Naphtho[1,2-d]thiazolium, 2-methyl-1-(3-sulfopropyl)-, hydroxide, inner salt 
W-106879 
2-Methyl-1-(3-sulfopropyl)naphtho[1,2-d]thiazolium hydroxide inner salt monohydrate 
Naphtho(1,2-d)thiazolium, 2-methyl-1-(3-sulfopropyl)-, inner salt 
2-Methyl-1-(3-sulfopropyl)naphtho(1,2-d)thiazolium inner salt 
EINECS 221-646-1 
Literature
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