(2E)-2-[[4-(1-Methylethyl)phenyl]methylene]hydrazinecarbothioamide - CAS 1446351-71-8
Catalog: |
BB059364 |
Product Name: |
(2E)-2-[[4-(1-Methylethyl)phenyl]methylene]hydrazinecarbothioamide |
CAS: |
1446351-71-8 |
Synonyms: |
4-methylbenzylidene-N-phenyl-hydrazinecarbothioamide |
Related CAS: | 3811-20-9
|
IUPAC Name: | [(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea |
Description: | (2E)-2-[[4-(1-Methylethyl)phenyl]methylene]hydrazinecarbothioamide derived from the reaction of 4-isopropylbenzaldehyde and thiosemicarbazide. |
Molecular Weight: | 221.32 |
Molecular Formula: | C11H15N3S |
Canonical SMILES: | CC(C)C1=CC=C(C=C1)C=NNC(=S)N |
InChI: | InChI=1S/C11H15N3S/c1-8(2)10-5-3-9(4-6-10)7-13-14-11(12)15/h3-8H,1-2H3,(H3,12,14,15)/b13-7+ |
InChI Key: | GCIARVDJUYGSFQ-NTUHNPAUSA-N |
References: | Khalaji, Aliakbar Dehno., et al . J Mol Struct., 1047, 87 (2013),. |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 221.09866866 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.09866866 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 82.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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