Basic information
- CAS
672266-71-6- Standard SMILES
CC(C)c1nc2sc3c(=S)nc[nH]c3c2c2c1CCC2- InChIKey
QKMABHWGFYVEHK-UHFFFAOYSA-N- Molecular formula
- C15H15N3S2
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.07073984
Names & identifiers
- Preferred name
- 4-Isopropyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyclopenta[c]fluorene-7-thiol
- IUPAC
- 7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),13-pentaene-12-thione
Names & synonyms
MLS000769554SMR0004342864-Isopropyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyclopenta[c]fluorene-7-thiolZINC01240801672266-71-6cid_930238CHEMBL1362595REGID_for_CID_930238BDBM46583DTXSID401321063HMS2798M08STL047027
Show more names
AKOS005700339AKOS0305212894-(Propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-7(10H)-thione4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-7(8H)-thione4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-7-thiol7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),13-pentaene-12-thione
Database identifiers
- CAS
672266-71-6- PubChem CID
- 930238
- DTXSID
DTXSID401321063- ChEMBL
CHEMBL1362595
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 450
Experimental & physicochemical properties
Solubility4.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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