Basic information
- CAS
151094-90-5- Standard SMILES
Nn1c(=S)[nH]c2sc3c(c2c1=O)CCCC3- InChIKey
PKTOLJZCUIVPGI-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS2
- Average molar mass
- 253.3 g/mol
Names & identifiers
- Preferred name
- 3-amino-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
- IUPAC
- 3-amino-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 3-amino-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
- Molecular formula
- C10H11N3OS2
- Molecular weight
- 253.34384
Names & synonyms
3-amino-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-oneMLS0011804283-amino-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one151094-90-5SMR000476770cid_831507CHEMBL1874598SCHEMBL17909964BDBM95281HMS2779J17AKOS040727219AK-968/15361701
Show more names
3-Amino-2-thioxo-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one3-amino-2-thioxo-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one3-azanyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Database identifiers
- CAS
151094-90-5- ChEMBL
CHEMBL1874598- Nikkaji
- J715.269H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
Solubility26.6 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…