Benzothiazol-5-amine

HCID 70749

Basic information

CAS
1123-93-9
Standard SMILES
Nc1ccc2scnc2c1
InChIKey
UJZYHMZRXGNDFB-UHFFFAOYSA-N
Molecular formula
C7H6N2S
Average molar mass
150.2 g/mol
Monoisotopic mass
150.02516937

Names & identifiers

Preferred name
Benzothiazol-5-amine
IUPAC
1,3-benzothiazol-5-amine
English name
1,3-Benzothiazol-5-amine
Molecular formula
C7H6N2S
Molecular weight
150.2

Names & synonyms

1123-93-95-BenzothiazolamineBenzothiazol-5-amineEINECS 214-381-8DTXSID00149988NSC 170655RefChem:566270DTXCID6072479214-381-81,3-benzothiazol-5-amineBenzothiazol-5-ylaminebenzo[d]thiazol-5-amine
Show more names
CHEMBRDG-BB 40033483-Benzothiazol-5-amine5-Aminobenzothiazole,96%
5-AMINOBENZOTHIAZOLEMFCD04115282SCHEMBL115598CS-W007552BP-11254EN300-421515-Amino-1,3-benzothiazoleBenzothi

Database identifiers

CAS
1123-93-9
PubChem CID
70749
DTXSID
DTXSID00149988
EC Number
214-381-8
Nikkaji
J80.172K

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
55 °C · 55 °C
Boiling point
323.1 · 323.1±15.0 °C(Predicted)
Density
1.383 · 1.383
storage temp.
2 · 2-8°C(protect from light)
form
powder
pka
2.44 · 2.44±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302+H312+H332 (10%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (70%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (80%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (70%);Skin Irrit. 2 (90%);Eye Irrit. 2 (100%);Acute Tox. 4 (80%);STOT SE 3 (80%)

Safety data

tsca
Yes
ridadr
2811
hs_code
2934208090
risk_code
20/21/22-36/37/38-36-22
Signal word
Warning
Symbol(GHS)
GHS06

Chemistry & industry

Applications

UsesIt is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor.

Upstream & downstream products

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

401 records

Compound notes

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