(3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane

C14H26ClN2O3PS2 — CID 70532914

IUPAC(3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
SMILESCCOP(=O)(OCC)SCCSCC.NNc1cccc(Cl)c1
InChIInChI=1S/C8H19O3PS2.C6H7ClN2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;7-5-2-1-3-6(4-5)9-8/h4-8H2,1-3H3;1-4,9H,8H2
InChIKeySYFMLPIUAFGQLP-UHFFFAOYSA-N
MW400.93 g/mol
LogP5.28
Rot. Bonds10

About (3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane

(3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane (PubChem CID 70532914) has the molecular formula C14H26ClN2O3PS2 and a molecular weight of 400.93 g/mol. Its IUPAC name is (3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane.

Molecular Properties

Compound Name(3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
PubChem CID70532914
Molecular FormulaC14H26ClN2O3PS2
Molecular Weight400.93 g/mol
Exact Mass400.08
IUPAC Name(3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
SMILESCCOP(=O)(OCC)SCCSCC.NNc1cccc(Cl)c1
InChIInChI=1S/C8H19O3PS2.C6H7ClN2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;7-5-2-1-3-6(4-5)9-8/h4-8H2,1-3H3;1-4,9H,8H2
InChIKeySYFMLPIUAFGQLP-UHFFFAOYSA-N
XLogP5.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.93
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl)hydrazine;dihydrochloride
CID 53402731
2-(3-chloroanilino)-4-ethylsulfanylbutanamide
CID 116504285
N-[(4-chlorophenyl)methyl]-2-diethoxyphosphorylsulfanylethanamine
CID 71363476
2-aminopropan-1-ol;(3-chlorophenyl)hydrazine;ethane
CID 143576904
ethyl 2-(3-chloroanilino)prop-2-enoate
CID 150837034
3-chloro-N-[diethoxyphosphoryl-[4-(dimethylamino)phenyl]methyl]aniline
CID 21210791
3-chloro-N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]aniline
CID 21210989
ethyl (3-chlorophenyl)carbamothioylsulfanylformate
CID 3032749
1-(3-chlorophenyl)-3-[diethoxyphosphoryl(phenyl)methyl]urea
CID 4037249
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
2-[(3-chlorophenyl)carbamoylamino]-4-ethylsulfanylbutanoic acid
CID 108783530
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
The IUPAC name of (3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane (CID 70532914) is (3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane.
What is the SMILES notation for (3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
The canonical SMILES for (3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane is CCOP(=O)(OCC)SCCSCC.NNc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
The InChIKey is SYFMLPIUAFGQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3PS2.C6H7ClN2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;7-5-2-1-3-6(4-5)9-8/h4-8H2,1-3H3;1-4,9H,8H2.
What are the key properties of (3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
(3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane has a molecular weight of 400.93 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)hydrazine;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane is sourced from PubChem (CID 70532914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).