2-[(4-Propoxyphenyl)methylene]hydrazinecarbothioamide - CAS 5351-86-0
Catalog: |
BB076594 |
Product Name: |
2-[(4-Propoxyphenyl)methylene]hydrazinecarbothioamide |
CAS: |
5351-86-0 |
Synonyms: |
4-Ethoxybenzylidenehydrazinecarbothioamide |
IUPAC Name: | [(E)-(4-propoxyphenyl)methylideneamino]thiourea |
Description: | 2-[(4-Propoxyphenyl)methylene]hydrazinecarbothioamide, is an analytical standard and intermediate in the synthesis of more complex compounds. |
Molecular Weight: | 237.32 |
Molecular Formula: | C11H15N3OS |
Canonical SMILES: | CCCOC1=CC=C(C=C1)C=NNC(=S)N |
InChI: | InChI=1S/C11H15N3OS/c1-2-7-15-10-5-3-9(4-6-10)8-13-14-11(12)16/h3-6,8H,2,7H2,1H3,(H3,12,14,16)/b13-8+ |
InChI Key: | ZCPNUSUFXTTYKA-MDWZMJQESA-N |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 237.09358328 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.09358328 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 91.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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