Basic information
- CAS
314260-87-2- Standard SMILES
Cc1nc(-n2cnc3ccccc32)c2c3c(sc2n1)CCC3- InChIKey
UPVCFBVIGJYKCY-UHFFFAOYSA-N- Molecular formula
- C17H14N4S
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.09391764
Names & identifiers
- Preferred name
- 12-(1H-1,3-Benzodiazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo(6.4.0.02,6)dodeca-1(12),2(6),8,10-tetraene
- IUPAC
- 12-(benzimidazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
- English name
- 4-(1H-benzo[d]imidazol-1-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine
- Molecular formula
- C17H14N4S
- Molecular weight
- 306.38
Names & synonyms
314260-87-212-(1H-1,3-Benzodiazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo(6.4.0.02,6)dodeca-1(12),2(6),8,10-tetraene12-(1H-1,3-Benzodiazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraeneRefChem:437315105-002-64-(1H-benzimidazol-1-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine12-(1H-1,3-benzodiazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraeneOprea1_281540CCG-19002AKOS00103736012-(benzimidazol-1-yl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraeneST50050800
Show more names
5H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine, 4-(1H-benzimidazol-1-yl)-6,7-dihydro-2-methyl-
AF-399/15031042SR-01000474050SR-01000474050-1Z52576444F0863-03024-benzimidazolyl-2-methyl-5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4,5-b]thio phene4-(1H-benzo[d]imidazol-1-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 2.13 · 2.13±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers4 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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