2-Benzothiazolamine, 6-(methylsulfonyl)- (HCID 87152)

Names & identifiers

Preferred name: 2-Benzothiazolamine, 6-(methylsulfonyl)-
IUPAC: 6-methylsulfonyl-1,3-benzothiazol-2-amine
English name: Pramipexole Impurity 23
Molecular formula: C8H8N2O2S2
Molecular weight: 228.29

Names & synonyms

17557-67-42-Amino-6-(methylsulfonyl)benzothiazole2-Benzothiazolamine, 6-(methylsulfonyl)-6-(Methylsulfonyl)-2-benzothiazolamine2-Aminobenzothiazole-6-methyl sulfoneEINECS 241-537-22-Aminobenzothiazolyl-6 methyl sulfone6-Methylsulphonylbenzothiazol-2-ylamineDTXSID40517962-Amino-6-[methylsulfonyl]benzothiazoleRefChem:465556DTXCID7030351

Show more names

SKA 16AURORA 8319AKOS BBS-00006406TbPTR1 inhibitor 2LABOTEST-BB LT00080641Pramipexole Impurity 33TbPTR1 inhibitor 2, 10 mM in DMSO2-Amino-6-Methisulfonylbenzothiazole6-(methylsulfonyl)-2-benzothiazolamin

241-537-26-(methylsulfonyl)-1,3-benzothiazol-2-amine6-methylsulfonyl-1,3-benzothiazol-2-amine2-Amino-6-methylsulfonylbenzothiazole6-methanesulfonyl-1,3-benzothiazol-2-amineMFCD001791336-(methylsulfonyl)benzo[d]thiazol-2-amineCHEMBL432942

Database identifiers

CAS: 17557-67-4
PubChem CID: 87152
DTXSID: DTXSID4051796
ChEMBL: CHEMBL432942
UNII: JVA34UM59P
EC Number: 241-537-2
Nikkaji: J37.328A

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 110 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 312

Physicochemical properties

Melting point: 223 °C · 223 °C (dec.)(lit.)
Boiling point: 500.8 · 500.8±56.0 °C(Predicted)
Density: 1.518 · 1.518±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 1.99 · 1.99±0.10(Predicted)
form: Solid
color: White to off-white
CAS DataBase Reference: 17557 · 17557-67-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 2 · 2-Benzothiazolamine, 6-(methylsulfonyl)- (17557-67-4)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 280 · P280-P301+P310-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36-36/37/39-22
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 863408 · DL0863408
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 2934208090 · 2934208090
Toxicity: 50 · mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),BEHAVIORAL: EXCITEMENTBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0534339,
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk: 3
tsca: TSCA listed
rtecs: DL0863408
ridadr: UN 2811 6.1/PG 3
hs_code: 2934208090
Toxicity: mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),BEHAVIORAL: EXCITEMENTBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0534339,
risk_code: 36/37/38-22
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-22
hazard_class: 6.1
packing_group: Ⅲ
Hazard statements: H301-H315-H319-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P280-P301+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Benzothiazolamine, 6-(methylsulfonyl)-: INACTIVE

Applications

Uses2-Amino-6-(Methylsulfonyl)benzothiazole is used in preparation of benzothiazole carboxamides as RIG-1 agonists for treatment cell proliferation disorders.