5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidine-4-thiol - CAS 40277-39-2
Catalog: |
BB047250 |
Product Name: |
5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidine-4-thiol |
CAS: |
40277-39-2 |
Synonyms: |
5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(3H)-thione; 5,6,7,8-Tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine-4-thiol; 5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-4(3H)-thione |
IUPAC Name: | 5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione |
Description: | 5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidine-4-thiol (CAS# 40277-39-2 ) is a useful research chemical. |
Molecular Weight: | 222.3 |
Molecular Formula: | C10H10N2S2 |
Canonical SMILES: | C1CCC2=C(C1)C3=C(S2)N=CNC3=S |
InChI: | InChI=1S/C10H10N2S2/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13) |
InChI Key: | KUZMWCUBXLBJQY-UHFFFAOYSA-N |
Boiling Point: | 404.9 °C at 760 mmHg |
Melting Point: | 231-233 °C |
Purity: | 95 % |
Density: | 1.58 g/cm3 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.02854067 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.02854067 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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