(1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol

C7H16O3S — CID 97303801

IUPAC(1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol
SMILESCCOC(C)O[C@H](S)COC
InChIInChI=1S/C7H16O3S/c1-4-9-6(2)10-7(11)5-8-3/h6-7,11H,4-5H2,1-3H3/t6?,7-/m1/s1
InChIKeyLGKHYZXMHVHFAH-COBSHVIPSA-N
MW180.27 g/mol
LogP1.29
Rot. Bonds6

About (1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol

(1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol (PubChem CID 97303801) has the molecular formula C7H16O3S and a molecular weight of 180.27 g/mol. Its IUPAC name is (1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol.

Molecular Properties

Compound Name(1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol
PubChem CID97303801
Molecular FormulaC7H16O3S
Molecular Weight180.27 g/mol
Exact Mass180.08
IUPAC Name(1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol
SMILESCCOC(C)O[C@H](S)COC
InChIInChI=1S/C7H16O3S/c1-4-9-6(2)10-7(11)5-8-3/h6-7,11H,4-5H2,1-3H3/t6?,7-/m1/s1
InChIKeyLGKHYZXMHVHFAH-COBSHVIPSA-N
XLogP1.29
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;sulfane
CID 87563963
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87172794
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
(2S)-2-[(1R)-1-ethoxyethoxy]propan-1-ol
CID 101001545
1-(1-ethoxyethoxy)propylsilane
CID 175194078
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
cyclopropane;1,1-diethoxyethane
CID 67020569
1-(1-ethoxyethoxy)ethyl-diethylsulfanium
CID 87508381

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol?
The IUPAC name of (1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol (CID 97303801) is (1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol.
What is the SMILES notation for (1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol?
The canonical SMILES for (1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol is CCOC(C)O[C@H](S)COC.
What is the InChIKey of (1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol?
The InChIKey is LGKHYZXMHVHFAH-COBSHVIPSA-N. The full InChI is InChI=1S/C7H16O3S/c1-4-9-6(2)10-7(11)5-8-3/h6-7,11H,4-5H2,1-3H3/t6?,7-/m1/s1.
What are the key properties of (1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol?
(1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol has a molecular weight of 180.27 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R)-1-ethoxyethoxy]-2-methoxyethanethiol is sourced from PubChem (CID 97303801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).