Basic information
- CAS
21011-44-9- Standard SMILES
S=C(c1ccc(Cl)cc1)N1CCOCC1- InChIKey
QQAQCKDPIMFFLI-UHFFFAOYSA-N- Molecular formula
- C11H12ClNOS
- Average molar mass
- 241.74 g/mol
- Monoisotopic mass
- 241.0328129
Names & identifiers
- Preferred name
- (4-Chlorophenyl)(morpholino)methanethione
- IUPAC
- (4-chlorophenyl)-morpholin-4-ylmethanethione
Names & synonyms
21011-44-9(4-chlorophenyl)(morpholino)methanethioneDTXSID50350623RefChem:69471DTXCID50301690(4-chlorophenyl)-morpholin-4-ylmethanethioneMorpholine, 4-[(4-chlorophenyl)thioxomethyl]-MLS000106380(4-chlorophenyl)(morpholin-4-yl)methanethioneSMR000103347Maybridge1_002218cid_684261
Show more names
SCHEMBL9268856CHEMBL1348974BDBM34554HMS547M184-(4-chlorobenzothioyl)morpholineHMS2454G14STK795378AKOS000352617
Database identifiers
- CAS
21011-44-9- PubChem CID
- 684261
- DTXSID
DTXSID50350623- ChEMBL
CHEMBL1348974- Nikkaji
- J322.638G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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