Basic information
- CAS
58328-36-2- Standard SMILES
CCN(CC)C(=S)NC(=O)c1ccccc1- InChIKey
UQXSQVXCEQMCPC-UHFFFAOYSA-N- Molecular formula
- C12H16N2OS
- Average molar mass
- 236.34 g/mol
- Monoisotopic mass
- 236.09833431
Names & identifiers
- Preferred name
- N-(diethylcarbamothioyl)benzamide
- IUPAC
- N-(diethylcarbamothioyl)benzamide
- English name
- N'-BENZOYL-N,N-DIETHYLTHIOUREA
- Molecular formula
- C12H16N2OS
- Molecular weight
- 236.33
Names & synonyms
58328-36-2N-(diethylcarbamothioyl)benzamideDTXSID80350914RefChem:1091420DTXCID80301981N'-Benzoyl-N,N-diethylthioureaMFCD00210013N-[(DIETHYLAMINO)THIOXOMETHYL]BENZAMIDEn,n-diethyl-n'-benzoylthioureaSCHEMBL5451660HMS1775N21ICA32836
Show more names
AURORA 24081-Benzoyl-3,3-diethylthiourea1,1-Diethyl-3-benzoylthioureaN-(Diethylthiocarbamoyl)benzamideN-[(Diethylamino)(thiocarbonyl)]benzamideBenzamide, N-[(diethylamino)thioxomethyl]-
AC6401N-BENZOYL-N,N-DIETHYLTHIOUREAAKOS001025668SY033668DB-327040CS-0331711ST50190692AB00087660-01
Database identifiers
- CAS
58328-36-2- PubChem CID
- 688604
- DTXSID
DTXSID80350914- Nikkaji
- J435.874K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 98 · 98-102 °C
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 10.05 · 10.05±0.70(Predicted)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- HS Code
- 2930909899 · 2930909899
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
- wgk
- 3
- hs_code
- 2930909899
- safety_code
- 22-24/25
Chemistry & industry
Suppliers5 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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