2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
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![2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f2919c081f5d4974be628f6d90983b44.png "2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid")
2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
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CAS No:
29338-10-1
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Formula:
C31H45N3O9S4
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Chemical Name:
2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
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Synonyms:
29338-10-1;MCULE-5792279763;DS-004127;2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid
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CAS No:
2-hexadecylsulfonyl-5-[[(3-methyl-5-sulfo-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid Basic Attributes
732.0 g/mol
731.20386472 g/mol
DTXSID80421734
Safety Information
|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:732.0
XLogP3:8.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:21
Exact Mass:731.20386472
Monoisotopic Mass:731.20386472
Topological Polar Surface Area:238
Heavy Atom Count:47
Complexity:1340
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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