Basic information
- CAS
2582-07-2- Standard SMILES
NC(N)=Nc1nc2ccccc2s1- InChIKey
QMHWARSFUCGBJK-UHFFFAOYSA-N- Molecular formula
- C8H8N4S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.04696726
Names & identifiers
- Preferred name
- 2-Guanidinobenzothiazole
- IUPAC
- 2-(1,3-benzothiazol-2-yl)guanidine
- English name
- benzothiazol-2-ylguanidine
- Molecular formula
- C8H8N4S
- Molecular weight
- 192.24
Names & synonyms
2582-07-2Guanidine, 2-benzothiazolyl-Benzothiazol-2-ylguanidineBenzothiazole guanidineGUANIDINE, (2-BENZOTHIAZOLYL)-2-guanidinobenzothiazoleGuanidine, N-2-benzothiazolyl-(2-Benzothiazolyl)guanidineW9A9FH54B4EINECS 219-955-1NSC 37475NSC-37475
Show more names
2-(Benzothiazol-2-yl)guanidine1-(Benzothiazol-2-yl)guanidine1-(Benzo[d]Thiazol-2-yl)guanidineGuanidine, 2-benzothiazolyl- (9CI)
AI3-52523DTXSID20180474N-2-BENZOTHIAZOLYLGUANIDINE(1,3-BENZOTHIAZOL-2-YL)GUANIDINE2-(((AMINO)(IMINO)METHYL)AMINO)BENZOTHIAZOLERefChem:472803DTXCID30102965(2-Benzothiazolyl)-guanidine
Database identifiers
- CAS
2582-07-2- PubChem CID
- 17415
- DTXSID
DTXSID20180474- ChEMBL
CHEMBL4573600- UNII
- W9A9FH54B4
- EC Number
- 219-955-1
- Nikkaji
- J49.248E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- FDA UNII
- 9 A9FH54B4 · W9A9FH54B4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
1 records
Compound notes
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