Basic information
- CAS
5855-98-1- Standard SMILES
Cc1ccc2nc(-c3ccc(N)c(S(=O)(=O)O)c3)sc2c1S(=O)(=O)O- InChIKey
ANZCWTMNWQPOQI-UHFFFAOYSA-N- Molecular formula
- C14H12N2O6S3
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 399.98574963
Overview
produces strong inhibition on both surfaces of the erythrocyte membrane; structure
Names & identifiers
- Preferred name
- 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid
- IUPAC
- 2-(4-amino-3-sulfophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
- English name
- 2-(4-amino-3-sulphophenyl)-6-methylbenzothiazole-7-sulphonic acid
- Molecular formula
- C14H12N2O6S3
- Molecular weight
- 400.45
Names & synonyms
5855-98-17-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl-8Z5S3B4TYD2-(4-Amino-3-sulphophenyl)-6-methylbenzothiazole-7-sulphonic acid2-(4'-Aminophenyl)-6-methylbenzene-thiazole-3',7-disulfonic acidDTXSID60640302-(4-AMINO-3-SULFOPHENYL)-6-METHYL-7-BENZOTHIAZOLESULFONIC ACIDRefChem:456674DTXCID9042417227-471-72-(4-amino-3-sulfophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid2-(4-AMINO-3-SULFOPHENYL)-6-METHYLBENZO[D]THIAZOLE-7-SULFONIC ACID
Show more names
1,3-benzothiazole-7-sulfonicacid2-(4-Aminophenyl)-6-methylbenzothiazole-3,7-disulfonic acid2-(4-Amino-3-sulfophenyl)-6-methylbenzothiazol-7-sulfonsure2-(4-amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic aci2-(4-amino-3-sulphophenyl)-6-methylbenzothiazole-7-sulphonic...
EINECS 227-471-7UNII-8Z5S3B4TYDSCHEMBL1755225ANZCWTMNWQPOQI-UHFFFAOYSA-NAKOS015901283DB-026502NS00033956
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 701
Physicochemical properties
- FDA UNII
- 8 Z5S3B4TYD · 8Z5S3B4TYD
- EPA Substance Registry System
- 7 · 7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl- (5855-98-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers6 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
武汉浩荣生物科技有限公司18186132299 18186132299 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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