Basic information
- CAS
58-13-9- Standard SMILES
CCN(CC)CCSC(=O)N(c1ccccc1)c1ccccc1.Cl- InChIKey
QHTWTHGLTISQOF-UHFFFAOYSA-N- Molecular formula
- C19H25ClN2OS
- Average molar mass
- 364.9 g/mol
- Monoisotopic mass
- 364.1376123
Names & identifiers
- Preferred name
- Carbamothioic acid, N,N-diphenyl-, S-(2-(diethylamino)ethyl) ester, hydrochloride (1:1)
- IUPAC
- S-[2-(diethylamino)ethyl] N,N-diphenylcarbamothioate;hydrochloride
- English name
- S-[2-(diethylamino)ethyl] diphenyldithiocarbamate monohydrochloride
- Molecular formula
- C19H25ClN2S2
- Molecular weight
- 380.9982
Names & synonyms
58-13-9CARBAMOTHIOIC ACID, N,N-DIPHENYL-, S-(2-(DIETHYLAMINO)ETHYL) ESTER, HYDROCHLORIDE (1:1)RefChem:1081021Phencarbamide hydrochlorideFencarbamide hydrochloridePhenocarbamide hydrochlorideB77786C9A5S-[2-(Diethylamino)ethyl] diphenyldithiocarbamate monohydrochlorideS-(2-(Diethylamino)ethyl) diphenyldithiocarbamate monohydrochlorideFencarbamide HClPhencarbamid hydrochlorid [German]EINECS 200-363-7
Show more names
Phencarbamide HClDiphenylamin-(beta-diaethylaminoaethyl)carbamidthioester [german]Diphenylthiocarbamic acid S-(2-(diethylamino)ethyl) ester hydrochlorideDiphenylcarbamothioic acid S-(2-(diethylamino)ethyl) ester hydrochloride
BA 1355Phencarbamid hydrochloridDiphenylamin-(beta-diaethylaminoaethyl)carbamidthioesterorb2815272SCHEMBL15453584UNII-B77786C9A5DTXSID40973567QHTWTHGLTISQOF-UHFFFAOYSA-N
Properties
Computed structural properties
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 180 · 180-181°
- color
- Crystals from MeCOEt
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 77786 C9A5 · B77786C9A5
- Toxicity
- 50 orally · LD50 orally in rats: 410 mg/kg (Wirth, Goesswald)
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
- Toxicity
- LD50 orally in rats: 410 mg/kg (Wirth, Goesswald)
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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