CID 87676034

C9H10Cl3O3PSSi — CID 87676034

IUPAC—
SMILESCCOP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl.[Si]
InChIInChI=1S/C9H10Cl3O3PS.Si/c1-3-14-16(17,13-2)15-9-5-7(11)6(10)4-8(9)12;/h4-5H,3H2,1-2H3;
InChIKeySKKRWMMSONXHNX-UHFFFAOYSA-N
MW363.66 g/mol
LogP4.55
Rot. Bonds5

About CID 87676034

CID 87676034 (PubChem CID 87676034) has the molecular formula C9H10Cl3O3PSSi and a molecular weight of 363.66 g/mol.

Molecular Properties

Compound NameCID 87676034
PubChem CID87676034
Molecular FormulaC9H10Cl3O3PSSi
Molecular Weight363.66 g/mol
Exact Mass361.89
IUPAC Name—
SMILESCCOP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl.[Si]
InChIInChI=1S/C9H10Cl3O3PS.Si/c1-3-14-16(17,13-2)15-9-5-7(11)6(10)4-8(9)12;/h4-5H,3H2,1-2H3;
InChIKeySKKRWMMSONXHNX-UHFFFAOYSA-N
XLogP4.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.66
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
CID 17519
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
CID 100976953
magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride
CID 173330701
ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
CID 9477
diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane;dimethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane
CID 87195057
1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene
CID 10594114
diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]-λ5-phosphane;2,3-dihydroxybutanedioic acid
CID 175194272
[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane
CID 24841757
1,2,4-trichloro-5-undecoxybenzene
CID 518118
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146

Frequently Asked Questions

What is the IUPAC name of CID 87676034?
The IUPAC name of CID 87676034 (CID 87676034) is not available.
What is the SMILES notation for CID 87676034?
The canonical SMILES for CID 87676034 is CCOP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl.[Si].
What is the InChIKey of CID 87676034?
The InChIKey is SKKRWMMSONXHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3O3PS.Si/c1-3-14-16(17,13-2)15-9-5-7(11)6(10)4-8(9)12;/h4-5H,3H2,1-2H3;.
What are the key properties of CID 87676034?
CID 87676034 has a molecular weight of 363.66 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87676034 is sourced from PubChem (CID 87676034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).