4-(4-Chlorophenoxy)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Basic information
- CAS
300567-52-6- Standard SMILES
Clc1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1- InChIKey
JMNMHKRBIRGWDC-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2OS
- Average molar mass
- 316.8 g/mol
- Monoisotopic mass
- 316.0437119
Names & identifiers
- Preferred name
- 4-(4-Chlorophenoxy)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
- IUPAC
- 4-(4-chlorophenoxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Names & synonyms
4-(4-chlorophenoxy)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidineOprea1_198798DTXSID701157289CCG-54332STK532532AKOS001136363300567-52-6SR-01000643435-1Z312071174-(4-chlorophenoxy)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine
Database identifiers
- CAS
300567-52-6- PubChem CID
- 736291
- DTXSID
DTXSID701157289
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
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Compound notes
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