Basic information
- CAS
88203-18-3- Standard SMILES
Clc1nc(C(Cl)Cl)nc2sc3c(c12)CCCC3- InChIKey
VUTCRKCUTLDMTC-UHFFFAOYSA-N- Molecular formula
- C11H9Cl3N2S
- Average molar mass
- 307.6 g/mol
- Monoisotopic mass
- 305.955203
Names & identifiers
- Preferred name
- 4-Chloro-2-(dichloromethyl)-5,6,7,8-tetrahydro(1)benzothieno(2,3-d)pyrimidine
- IUPAC
- 4-chloro-2-(dichloromethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Names & synonyms
88203-18-34-Chloro-2-(dichloromethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine4-Chloro-2-(dichloromethyl)-5,6,7,8-tetrahydro(1)benzothieno(2,3-d)pyrimidineRefChem:291444NSC 377825NSC3778254-chloro-2-(dichloromethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidineDTXSID80321563AKOS005853292NSC-377825
Database identifiers
- CAS
88203-18-3- PubChem CID
- 342175
- DTXSID
DTXSID80321563- Nikkaji
- J284.275K
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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