Basic information
- CAS
949-01-9- Standard SMILES
S=C(Cc1ccccc1)N1CCOCC1- InChIKey
NYFHVSARWRNBEM-UHFFFAOYSA-N- Molecular formula
- C12H15NOS
- Average molar mass
- 221.32 g/mol
- Monoisotopic mass
- 221.08743528
Names & identifiers
- Preferred name
- Morpholine, 4-(phenylthioacetyl)-
- IUPAC
- 1-morpholin-4-yl-2-phenylethanethione
- English name
- 1-Morpholino-2-phenyl-1-ethanethione
- Molecular formula
- C12H15NOS
- Molecular weight
- 221.32
Names & synonyms
Morpholine, 4-(phenylthioacetyl)-4-(Phenylthioacetyl)morpholinePhenylacetic acid thiomorpholideMorpholine, 4-(2-phenyl-1-thioxoethyl)-Feniltioaceto-morfolidaPhenylthioacetic acid morpholideFeniltioaceto-morfolida [Romanian]NSC 16272BRN 0172447AI3-01919DTXSID202416754-27-00-00282 (Beilstein Handbook Reference)
Show more names
Benzylmorpholino thioketone4-Benzylcarbonothioylmorpholine1-Morpholino-2-phenylethanethione
4-(2-Phenyl-1-thioxoethyl)morpholine4-[2-Phenyl-1-thioxoethyl]morpholineRefChem:159772DTXCID50164166Morpholine, 4-(2-phenyl-1-thioxoethyl)-(9CI)NYFHVSARWRNBEM-UHFFFAOYSA-N949-01-91-(morpholin-4-yl)-2-phenylethane-1-thione
Database identifiers
- CAS
949-01-9- PubChem CID
- 70362
- DTXSID
DTXSID20241675- ChEMBL
CHEMBL1094103- UNII
- U6HQ4JDB4M
- Nikkaji
- J41.800E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Melting point
- 79 · 79-80 °C
- Boiling point
- 349.8 · 349.8±52.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
- pka
- 1.4 · 1.40±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 HQ4JDB4M · U6HQ4JDB4M
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
Chemistry & industry
Suppliers1 total
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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