Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-((1-(hydroxymethyl)amino)cyclohexyl)oxy)-1-propanol (1:1)
Basic information
- CAS
105892-12-4- Standard SMILES
O=C(O)CSc1ccc(Cl)cc1.OCCCOC1(NCO)CCCCC1- InChIKey
ZPSPDMSTNVYGKP-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO5S
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1376719
Names & identifiers
- Preferred name
- Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-((1-(hydroxymethyl)amino)cyclohexyl)oxy)-1-propanol (1:1)
- IUPAC
- 2-(4-chlorophenyl)sulfanylacetic acid;3-[1-(hydroxymethylamino)cyclohexyl]oxypropan-1-ol
Names & synonyms
105892-12-4((4-Chlorophenyl)thio)acetic acid 3-((1-(hydroxymethyl)amino)cyclohexyl)oxy-1-propanol (1:1)RefChem:315975DTXSID30909810[(4-Chlorophenyl)sulfanyl]acetic acid--3-({1-[(hydroxymethyl)amino]cyclohexyl}oxy)propan-1-ol (1/1)
Database identifiers
- CAS
105892-12-4- PubChem CID
- 60043
- DTXSID
DTXSID30909810
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 301
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…