2-[2-[(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-1-BUTENYL]-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM HYDROXIDE, INNER SALT
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![2-[2-[(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-1-BUTENYL]-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM HYDROXIDE, INNER SALT structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d9bea68427a04cc3ad3fd8f36f9e723f.png "2-[2-[(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-1-BUTENYL]-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM HYDROXIDE, INNER SALT")
2-[2-[(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-1-BUTENYL]-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM HYDROXIDE, INNER SALT
structure -
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CAS No:
28784-39-6
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Formula:
C29H30N2O3S3
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Chemical Name:
2-[2-[(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-1-BUTENYL]-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM HYDROXIDE, INNER SALT
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Synonyms:
1-W-SULFOPROPYL-2-(2-ETHYL-3-(1-ETHYL-6-METHYL-1,3-BENZTHIAZOLIN-2-YLIDEN)-PROP-1-EN-1-YL)-NAPHTHO[5,4A]1,3-THIAZOLIUM-BETAINE;2-[2-[(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-1-BUTENYL]-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM HYDROXIDE, INNER SALT;ethylmethylbenzothiazolylidenemethylbuten-ylsulfo;ETHYLMETHYLBENZOTHIAZOLYLIDENEMETHYLBUTE N-YLSULFOPROPYLNAPHTHOTHIAZOLIUM OH;4,5-BENZO-3',9-DIETHYL-5'-METHYL-3-(3-SULFOPROPYL)THIACARBOCYANINE BETAINE;3-(2-(2-(3-Ethyl-5-methyl-3H-benzothiazol-2-ylidenemethyl)but-1-enyl)naphtho[1.2-d]thiazol-1-yl)propane-1-sulfonicacid];2-{2-[(3-ethyl-5-methyl-2(3h)-benzothiazolylidene)methyl]-1-butenyl}-1-(3-sulfopropyl)naphtho[1,2-d]thiazolium hydroxide inner salt;(ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl-1-butenyl
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CAS No:
2-[2-[(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-1-BUTENYL]-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM HYDROXIDE, INNER SALT Basic Attributes
550.76
550.14200
DTXSID10394129
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:550.8
XLogP3:7.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:550.14185634
Monoisotopic Mass:550.14185634
Topological Polar Surface Area:126
Heavy Atom Count:37
Complexity:949
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[2-[(3-ETHYL-5-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-1-BUTENYL]-1-(3-SULFOPROPYL)NAPHTHO[1,2-D]THIAZOLIUM HYDROXIDE, INNER SALT
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