Basic information
- CAS
1226-64-8- Standard SMILES
COc1ccccc1NC(=S)Nc1ccccc1OC- InChIKey
SLCJUVBRGGUTNS-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.09324893
Overview
See also: 1,3-Bis-(2-methoxyphenyl)-2-thiourea (annotation moved to).
Names & identifiers
- Preferred name
- 1,3-Bis(2-methoxyphenyl)thiourea
- IUPAC
- 1,3-bis(2-methoxyphenyl)thiourea
- English name
- N,N'-Bis(2-methoxyphenyl)thiourea
- Molecular formula
- C15H16N2O2S
- Molecular weight
- 288.36
Names & synonyms
1,3-bis(2-methoxyphenyl)thiourea1226-64-8Cyclo[L-alanyl-L-alpha-glutamyl-L-leucyl-L-prolylglycyl-O-(N-L-phenylalanylglycyl)-L-seryl-L-isoleucyl-L-prolyl], cyclic (2-->6)-peptide (9CI)NSC119320di(o-methoxyphenyl)thioureaOprea1_846144SCHEMBL3822985CHEMBL5494875SCHEMBL31388324DTXSID60924213n,n'-bis(2-methoxyphenyl)thioureaAKOS001016907
Show more names
Thiourea,N,N'-bis(2-methoxyphenyl)-1,3-BIS-(2-METHOXYPHENYL)-2-THIOUREA
NSC-119320bis[(2-methoxyphenyl)amino]methane-1-thioneST50153995N,N'-Bis(2-methoxyphenyl)carbamimidothioic acidSR-01000029120SR-01000029120-1BRD-K05121882-001-01-5Z45797177
Database identifiers
- CAS
1226-64-8- PubChem CID
- 706972
- DTXSID
DTXSID60924213- ChEMBL
CHEMBL5494875- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 134 °C · 134 °C
- Boiling point
- 416.6 · 416.6±55.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- pka
- 12.18 · 12.18±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H318-H315-H410
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P273-P391-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.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H335-H318-H315-H410
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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