5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene

C14H23O3PS2 — CID 21432667

IUPAC5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene
SMILESCCCSP(=O)(OCC)Oc1cc(C)c(SC)c(C)c1
InChIInChI=1S/C14H23O3PS2/c1-6-8-20-18(15,16-7-2)17-13-9-11(3)14(19-5)12(4)10-13/h9-10H,6-8H2,1-5H3
InChIKeyRODPVHNNSHRBIZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.69
Rot. Bonds8

About 5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene

5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene (PubChem CID 21432667) has the molecular formula C14H23O3PS2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene.

Molecular Properties

Compound Name5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene
PubChem CID21432667
Molecular FormulaC14H23O3PS2
Molecular Weight334.44 g/mol
Exact Mass334.08
IUPAC Name5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene
SMILESCCCSP(=O)(OCC)Oc1cc(C)c(SC)c(C)c1
InChIInChI=1S/C14H23O3PS2/c1-6-8-20-18(15,16-7-2)17-13-9-11(3)14(19-5)12(4)10-13/h9-10H,6-8H2,1-5H3
InChIKeyRODPVHNNSHRBIZ-UHFFFAOYSA-N
XLogP5.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane;dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-λ5-phosphane;[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 87802798
[4-[ethoxy(propylsulfanyl)phosphoryl]oxy-3-methylphenyl]-phenylmethanone
CID 54471577
1-(4-chlorophenyl)sulfinyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 12941004
1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 21489075
1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine
CID 88711008
ethyl N-[1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]ethylideneamino]carbamate
CID 88711045
[2-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]methylcarbamic acid
CID 175221165
1-[ethoxy(propylsulfanyl)phosphoryl]oxy-2-methoxy-4-methylsulfinylbenzene
CID 12881481
1-bromo-3-chloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 155289976
1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane
CID 24841778
4-[chloro(ethoxy)phosphoryl]oxy-2-methyl-1-methylsulfanylbenzene
CID 3084850
1-[ethoxy(propylsulfanyl)phosphoryl]oxy-2-(2,2,2-trifluoroethylsulfanyl)benzene
CID 13272083

Frequently Asked Questions

What is the IUPAC name of 5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene?
The IUPAC name of 5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene (CID 21432667) is 5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene.
What is the SMILES notation for 5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene?
The canonical SMILES for 5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene is CCCSP(=O)(OCC)Oc1cc(C)c(SC)c(C)c1.
What is the InChIKey of 5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene?
The InChIKey is RODPVHNNSHRBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O3PS2/c1-6-8-20-18(15,16-7-2)17-13-9-11(3)14(19-5)12(4)10-13/h9-10H,6-8H2,1-5H3.
What are the key properties of 5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene?
5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene has a molecular weight of 334.44 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethoxy(propylsulfanyl)phosphoryl]oxy-1,3-dimethyl-2-methylsulfanylbenzene is sourced from PubChem (CID 21432667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).