4-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)butanethioamide - CAS 41306-76-7
Catalog: |
BB066707 |
Product Name: |
4-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)butanethioamide |
CAS: |
41306-76-7 |
Synonyms: |
4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanethioamide; 4-(1,3-DIOXOISOINDOL-2-YL)BUTANETHIOAMIDE; 4-phthalimidobutanethioamide |
IUPAC Name: | 4-(1,3-dioxoisoindol-2-yl)butanethioamide |
Description: | 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanethioamide (cas# 41306-76-7) is a useful research chemical. |
Molecular Weight: | 248.3 |
Molecular Formula: | C12H12N2O2S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=S)N |
InChI: | InChI=1S/C12H12N2O2S/c13-10(17)6-3-7-14-11(15)8-4-1-2-5-9(8)12(14)16/h1-2,4-5H,3,6-7H2,(H2,13,17) |
InChI Key: | MAOSRRBZNPOFSB-UHFFFAOYSA-N |
Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.0619488 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.0619488 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 95.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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