Basic information
- CAS
75565-12-7- Standard SMILES
COc1ccc(N=C(NC#N)SC)cc1- InChIKey
WQFVSTRGXWJJLY-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.06228316
Names & identifiers
- Preferred name
- Methyl N-cyano-N'-(4-methoxyphenyl)carbamimidothioate
- IUPAC
- methyl N-cyano-N'-(4-methoxyphenyl)carbamimidothioate
- English name
- 1-Cyano-3-(4-methoxyphenyl)-2-methylisothiourea
- Molecular formula
- C10H11N3OS
- Molecular weight
- 221.28
Names & synonyms
75565-12-7methyl N-cyano-N'-(4-methoxyphenyl)carbamimidothioateDTXSID00346596RefChem:356768DTXCID302976681-Cyano-3-(4-methoxyphenyl)-2-methylisothioureaWQFVSTRGXWJJLY-UHFFFAOYSA-NMFCD00846922AKOS003676795AKOS017547932JS-1832ST025444
Show more names
1-Cyano-3-(4-methoxyphenyl)Carbamimidothioic acid, N-cyano-N'-(4-methoxyphenyl)-, methyl ester
AI-067/31569010N-Cyano-N'-(4-methoxyphenyl)-S-methylisothioureaSR-01000308828SR-01000308828-1Isothiourea, 1-cyano-3-(4-methoxyphenyl)-2-methyl-Methyl N'-cyano-N-(4-methoxyphenyl)imidothiocarbamateMethyl N'-cyano-N-(4-methoxyphenyl)imidothiocarbamate #(Z)-N'-cyano-N-(4-methoxyphenyl)(methylsulfanyl)methanimidamide
Database identifiers
- CAS
75565-12-7- PubChem CID
- 613502
- DTXSID
DTXSID00346596- EC Number
- 674-519-1
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311-H301
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H311-H301
- Precautionary statements
- P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…