Basic information
- CAS
84265-06-5- Standard SMILES
CN(C)C(=S)Oc1ccc(C=O)cc1- InChIKey
NFZIRYOGSVRUQE-UHFFFAOYSA-N- Molecular formula
- C10H11NO2S
- Average molar mass
- 209.27 g/mol
- Monoisotopic mass
- 209.05104977
Names & identifiers
- Preferred name
- O-(4-Formylphenyl) N,N-dimethylcarbamothioate
- IUPAC
- O-(4-formylphenyl) N,N-dimethylcarbamothioate
- English name
- O-(4-Formylphenyl)carbamothioicaciddimethylester
- Molecular formula
- C10H11NO2S
- Molecular weight
- 209.26
Names & synonyms
84265-06-5O-(4-formylphenyl) N,N-dimethylcarbamothioateRefChem:3662881-(4-Formylphenoxy)-N,N-dimethylmethanethioamideO-(4-formylphenyl) dimethylcarbamothioate1-4-formylphenoxy-N,N-dimethylmethanethioamideO-(4-Formylphenyl)carbamothioicaciddimethylesterSCHEMBL9320116DTXSID501254619JDA26506SBB094206O-(4-formylphenyl) dimethylthiocarbamate
Show more names
Carbamothioic acid, N,N-dimethyl-, O-(4-formylphenyl) ester
4-[(dimethylamino)thioxomethoxy]benzaldehydeCS-0233804EN300-136236G54226AA-516/31407030Z1269234310
Database identifiers
- CAS
84265-06-5- PubChem CID
- 816737
- DTXSID
DTXSID501254619
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 305.7 · 305.7±44.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 0.54 · 0.54±0.50(Predicted)
Chemistry & industry
Suppliers4 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…