2-Thienyl isocyanate - CAS 2048-57-9
Catalog: |
BB016005 |
Product Name: |
2-Thienyl isocyanate |
CAS: |
2048-57-9 |
Synonyms: |
2-isocyanatothiophene; 2-isocyanatothiophene |
IUPAC Name: | 2-isocyanatothiophene |
Description: | 2-Thienyl isocyanate (CAS# 2048-57-9) is a useful research chemical. |
Molecular Weight: | 125.15 |
Molecular Formula: | C5H3NOS |
Canonical SMILES: | C1=CSC(=C1)N=C=O |
InChI: | InChI=1S/C5H3NOS/c7-4-6-5-2-1-3-8-5/h1-3H |
InChI Key: | QVLWPBIUVXZGRK-UHFFFAOYSA-N |
Boiling Point: | 36-38 °C (1 torr) |
Melting Point: | 108-110 °C |
Purity: | 95 % |
Density: | 1.24 g/cm3 |
MDL: | MFCD02677700 |
LogP: | 1.71540 |
Publication Number | Title | Priority Date |
WO-2021069705-A1 | Isoindolinone compounds | 20191009 |
WO-2021004842-A1 | Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife | 20190708 |
TW-202003448-A | Adducts of amine catalysts for producing isocyanurate polymers | 20180413 |
WO-2019197638-A1 | Adducts of amine catalysts for producing isocyanurate polymers | 20180413 |
CN-112020525-A | Adducts of amine catalysts for making isocyanurate polymers | 20180413 |
PMID | Publication Date | Title | Journal |
21567639 | 20101215 | Nanoparticle vesicles through self assembly of cyclodextrin- and adamantyl-modified silica | Macromolecular rapid communications |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.99353489 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.99353489 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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