3,4-Dihydroisoquinoline-2(1H)-carbothioamide - CAS 31964-52-0
Catalog: |
BB021115 |
Product Name: |
3,4-Dihydroisoquinoline-2(1H)-carbothioamide |
CAS: |
31964-52-0 |
Synonyms: |
3,4-dihydro-1H-isoquinoline-2-carbothioamide |
IUPAC Name: | 3,4-dihydro-1H-isoquinoline-2-carbothioamide |
Description: | 3,4-Dihydroisoquinoline-2(1H)-carbothioamide (CAS# 31964-52-0) is a useful research chemical. |
Molecular Weight: | 192.28 |
Molecular Formula: | C10H12N2S |
Canonical SMILES: | C1CN(CC2=CC=CC=C21)C(=S)N |
InChI: | InChI=1S/C10H12N2S/c11-10(13)12-6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7H2,(H2,11,13) |
InChI Key: | JZQZVILRSLXZCO-UHFFFAOYSA-N |
Boiling Point: | 340.6 °C at 760 mmHg |
Density: | 1.251 g/cm3 |
LogP: | 1.92650 |
Publication Number | Title | Priority Date |
EP-1708999-A1 | Bronchorelaxing compounds | 20040122 |
JP-2007518798-A | Bronchial relaxant compound | 20040122 |
US-2005165004-A1 | Bronchorelaxing compounds | 20040122 |
US-2006040919-A1 | Bronchorelaxing compounds | 20040122 |
WO-2005070887-A1 | Bronchorelaxing compounds | 20040122 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.07211956 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.07211956 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 61.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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