6-Benzothiazolecarboxylic acid, 2-amino-

HCID 66740CAS 93-85-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1nc2ccc(C(=O)O)cc2s1
InChIKey
ZEAKWWWXCZMODH-UHFFFAOYSA-N
Molecular formula
C8H6N2O2S
Average molar mass
194.21 g/mol
Monoisotopic mass
194.01499843

Names & identifiers

Preferred name
6-Benzothiazolecarboxylic acid, 2-amino-
IUPAC
2-amino-1,3-benzothiazole-6-carboxylic acid
English name
2-Aminobenzothiazole-6-carboxylic acid
Molecular formula
C8H6N2O2S
Molecular weight
194.21

Names & synonyms

93-85-62-Aminobenzothiazole-6-carboxylic acid6-Benzothiazolecarboxylic acid, 2-amino-2-amino-6-benzothiazolecarboxylic acidEINECS 202-283-8NSC 39119DTXSID4059093RefChem:540437DTXCID5048843202-283-82-aminobenzo[d]thiazole-6-carboxylic acid2-amino-1,3-benzothiazole-6-carboxylic acid
Show more names
AKOS BB-7723ASISCHEM B67429AKOS BBS-00000327SALOR-INT L481106-1EA2-Aminobenzothiazolepurumforspectrophotometricdet.(ofPd)2-Aminobenzothiazol-6-carbonsureforgravimetricdetermination(ofHg)
2-Amino-benzothiazole-6-carboxylic acidMFCD000541802-amino benzothiazole-6-carboxylic acidCHEMBL3949742-Amino-benzothiazole-6-carboxylic acidhydrochlorideNSC39119A1JTKOprea1_294753

Database identifiers

CAS
93-85-6
PubChem CID
66740
DTXSID
DTXSID4059093
ChEMBL
CHEMBL394974
EC Number
202-283-8
Nikkaji
J40.176E

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
265 · 265 ºC (DEC.)
Boiling point
466.6 · 466.6±37.0 °C(Predicted)
Density
1.604 · 1.604
storage temp.
2 · 2-8°C(protect from light)
form
solid
pka
3.99 · 3.99±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca
TSCA listed
hs_code
29342000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing Information6-Benzothiazolecarboxylic acid, 2-amino-: INACTIVE
Applications · 1 item

Uses2-Aminobenzothiazole-6-carboxylic acid is a heterocyclic organic compound that can be used as an organic intermediate. 2-Aminobenzothiazoles belong to a class of heterocyclic compounds with diverse biological activities. For example, riluzole, clinically used to treat amyotrophic lateral sclerosis (ALS), belongs to the 2-aminobenzothiazole class; fulenteazole has antiviral, anthelmintic, and immunosuppressive activities; N-acyl-substituted 2-aminobenzothiazoles can inhibit HIV; and N-aryl-substituted 2-aminobenzothiazoles have strong anticancer activity. 2-Aminobenzothiazoles are also widely used in the development of antibacterial, antiviral, and anti-inflammatory drugs for the treatment of Parkinson's disease and diabetes. Therefore, 2-aminobenzothiazoles occupy a very important position in medicinal chemistry.

Upstream & downstream products

Suppliers50 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

16 records
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Linked notes

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