4-Chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine - CAS 40493-18-3
Catalog: |
BB024529 |
Product Name: |
4-Chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine |
CAS: |
40493-18-3 |
Synonyms: |
4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine; 4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine |
IUPAC Name: | 4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine |
Description: | 4-Chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine (CAS# 40493-18-3) is a useful research chemical. |
Molecular Weight: | 224.71 |
Molecular Formula: | C10H9ClN2S |
Canonical SMILES: | C1CCC2=C(C1)C3=C(S2)N=CN=C3Cl |
InChI: | InChI=1S/C10H9ClN2S/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2 |
InChI Key: | PRNJDUCSVXTOTN-UHFFFAOYSA-N |
Boiling Point: | 377.2 °C at 760 mmHg |
Density: | 1.419 g/cm3 |
MDL: | MFCD00463624 |
LogP: | 3.22350 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2016096721-A1 | Pyrazolopyridinamines as mknk1 and mknk2 inhibitors | 20141219 |
EP-3233866-B1 | Pyrazolopyridinamines as mknk1 and mknk2 inhibitors | 20141219 |
EP-2951187-A1 | Substituted thienopyrimidines and pharmaceutical use thereof | 20130201 |
US-2016159816-A1 | Substituted thienopyrimidines and pharmaceutical use thereof | 20130201 |
WO-2014118229-A1 | Substituted thienopyrimidines and pharmaceutical use thereof | 20130201 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.0174972 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.0174972 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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