(1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate

C20H20N4O2S-2 — CID 172971151

IUPAC(1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate
SMILESC=C(c1ccccc1)N(C)/N=C(\[O-])C/C([O-])=N/N(C)C(=S)c1ccccc1
InChIInChI=1S/C20H22N4O2S/c1-15(16-10-6-4-7-11-16)23(2)21-18(25)14-19(26)22-24(3)20(27)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3,(H,21,25)(H,22,26)/p-2
InChIKeyOWDZQBRBNHMHDO-UHFFFAOYSA-L
MW380.47 g/mol
LogP1.63
Rot. Bonds7

About (1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate

(1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate (PubChem CID 172971151) has the molecular formula C20H20N4O2S-2 and a molecular weight of 380.47 g/mol. Its IUPAC name is (1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate.

Molecular Properties

Compound Name(1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate
PubChem CID172971151
Molecular FormulaC20H20N4O2S-2
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name(1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate
SMILESC=C(c1ccccc1)N(C)/N=C(\[O-])C/C([O-])=N/N(C)C(=S)c1ccccc1
InChIInChI=1S/C20H22N4O2S/c1-15(16-10-6-4-7-11-16)23(2)21-18(25)14-19(26)22-24(3)20(27)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3,(H,21,25)(H,22,26)/p-2
InChIKeyOWDZQBRBNHMHDO-UHFFFAOYSA-L
XLogP1.63
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

disodium;N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate
CID 72994509
(1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane
CID 172921559
N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide
CID 59280767
3-N'-(benzenecarbonothioyl)-1-N',3-N'-dimethyl-1-N'-(1-phenylethenyl)propanedihydrazide
CID 143634327
N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide
CID 74372775
1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide
CID 58532633
disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate
CID 11529840
N,2-dimethyl-N-(1-phenylethenyl)propan-2-amine;ethane
CID 159340519
3-[2-(benzenecarbonothioyl)-2-methylhydrazinyl]-3-oxopropanamide
CID 89295759
N-(benzenecarbonothioyl)-N-[2-[bis(benzenecarbonothioyl)amino]ethyl]benzenecarbothioamide
CID 88799904
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
CID 14933594
2-(dimethylamino)-1-phenylprop-2-ene-1-thione
CID 88692044

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate?
The IUPAC name of (1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate (CID 172971151) is (1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate.
What is the SMILES notation for (1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate?
The canonical SMILES for (1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate is C=C(c1ccccc1)N(C)/N=C(\[O-])C/C([O-])=N/N(C)C(=S)c1ccccc1.
What is the InChIKey of (1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate?
The InChIKey is OWDZQBRBNHMHDO-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H22N4O2S/c1-15(16-10-6-4-7-11-16)23(2)21-18(25)14-19(26)22-24(3)20(27)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3,(H,21,25)(H,22,26)/p-2.
What are the key properties of (1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate?
(1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate has a molecular weight of 380.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate is sourced from PubChem (CID 172971151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).