Basic information
- CAS
438531-41-0- Standard SMILES
COc1ccc(C=O)cc1CN1CCSCC1- InChIKey
JYURGPQYEDOSEU-UHFFFAOYSA-N- Molecular formula
- C13H17NO2S
- Average molar mass
- 251.35 g/mol
- Monoisotopic mass
- 251.09799996
Names & identifiers
- Preferred name
- 4-Methoxy-3-(4-thiomorpholinylmethyl)benzaldehyde
- IUPAC
- 4-methoxy-3-(thiomorpholin-4-ylmethyl)benzaldehyde
- English name
- 4-METHOXY-3-THIOMORPHOLIN-4-YLMETHYLBENZALDEHYDE
- Molecular formula
- C13H17NO2S
- Molecular weight
- 251.34
Names & synonyms
438531-41-04-Methoxy-3-(4-thiomorpholinylmethyl)benzaldehydeRefChem:2938424-methoxy-3-(thiomorpholin-4-ylmethyl)benzaldehyde4-Methoxy-3-(thiomorpholinomethyl)benzaldehyde4-methoxy-3-[(thiomorpholin-4-yl)methyl]benzaldehydeMFCD011149604-methoxy-3-(1,4-thiazaperhydroin-4-ylmethyl)benzaldehyde4-Methoxy-3-thiomorpholin-4-ylmethylbenzaldehydeOprea1_866171Benzaldehyde, 4-methoxy-3-(4-thiomorpholylmethyl)-JYURGPQYEDOSEU-UHFFFAOYSA-N
Show more names
Benzaldehyde, 4-methoxy-3-(4-thiomorpholinylmethyl)-
DTXSID001235339ALBB-001105BBL016093SBB000905STK315914AKOS000304061ST036729VS-05133
Database identifiers
- CAS
438531-41-0- PubChem CID
- 591111
- DTXSID
DTXSID001235339
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Chemistry & industry
Suppliers3 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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