(2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane

C10H13Br2O3PS — CID 21420848

IUPAC(2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCCc1cc(Br)c(OP(=S)(OC)OC)c(Br)c1
InChIInChI=1S/C10H13Br2O3PS/c1-4-7-5-8(11)10(9(12)6-7)15-16(17,13-2)14-3/h5-6H,4H2,1-3H3
InChIKeyIWVAPVFTNPYWNU-UHFFFAOYSA-N
MW404.06 g/mol
LogP4.67
Rot. Bonds5

About (2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane

(2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane (PubChem CID 21420848) has the molecular formula C10H13Br2O3PS and a molecular weight of 404.06 g/mol. Its IUPAC name is (2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
PubChem CID21420848
Molecular FormulaC10H13Br2O3PS
Molecular Weight404.06 g/mol
Exact Mass401.87
IUPAC Name(2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCCc1cc(Br)c(OP(=S)(OC)OC)c(Br)c1
InChIInChI=1S/C10H13Br2O3PS/c1-4-7-5-8(11)10(9(12)6-7)15-16(17,13-2)14-3/h5-6H,4H2,1-3H3
InChIKeyIWVAPVFTNPYWNU-UHFFFAOYSA-N
XLogP4.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.06
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-ethyl-2-methoxybenzoic acid
CID 50882139
4-bromo-2,6-diethyl-1-benzothiophene
CID 131029500
2,6-dibromo-4-ethylaniline
CID 14043928
2-acetyloxy-3-bromo-5-ethylbenzoic acid
CID 50883031
3-bromo-5-ethyl-2-(3-methylbutoxy)aniline
CID 54853204
1-[(3-bromo-5-ethyl-2-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117459103
1-[3-bromo-2-(2-bromoethoxy)-5-ethylphenyl]ethanone
CID 143948636
3-(3-bromo-5-ethyl-2-methoxyphenyl)butanal
CID 117458994
7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene
CID 130870265
chloro-bis(3,5-diethylphenoxy)-sulfanylidene-λ5-phosphane
CID 87901386
methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117488003
(3,5-dibromo-4-propoxyphenyl)methanamine
CID 107741477

Frequently Asked Questions

What is the IUPAC name of (2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane (CID 21420848) is (2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane is CCc1cc(Br)c(OP(=S)(OC)OC)c(Br)c1.
What is the InChIKey of (2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is IWVAPVFTNPYWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2O3PS/c1-4-7-5-8(11)10(9(12)6-7)15-16(17,13-2)14-3/h5-6H,4H2,1-3H3.
What are the key properties of (2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane?
(2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 404.06 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21420848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).