1-sulfanyloxypentane

C5H12OS — CID 87932932

IUPAC1-sulfanyloxypentane
SMILESCCCCCOS
InChIInChI=1S/C5H12OS/c1-2-3-4-5-6-7/h7H,2-5H2,1H3
InChIKeyBOOCHYLYJZVMBH-UHFFFAOYSA-N
MW120.22 g/mol
LogP2.04
Rot. Bonds4

About 1-sulfanyloxypentane

1-sulfanyloxypentane (PubChem CID 87932932) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 1-sulfanyloxypentane.

Molecular Properties

Compound Name1-sulfanyloxypentane
PubChem CID87932932
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name1-sulfanyloxypentane
SMILESCCCCCOS
InChIInChI=1S/C5H12OS/c1-2-3-4-5-6-7/h7H,2-5H2,1H3
InChIKeyBOOCHYLYJZVMBH-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-sulfanyloxyoctane
CID 131981999
pentoxythallium
CID 174454480
CID 11819822
CID 11819822
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
pentoxyphosphanium
CID 151109139
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-dodecoxyhexadecane
CID 22256973
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of 1-sulfanyloxypentane?
The IUPAC name of 1-sulfanyloxypentane (CID 87932932) is 1-sulfanyloxypentane.
What is the SMILES notation for 1-sulfanyloxypentane?
The canonical SMILES for 1-sulfanyloxypentane is CCCCCOS.
What is the InChIKey of 1-sulfanyloxypentane?
The InChIKey is BOOCHYLYJZVMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-2-3-4-5-6-7/h7H,2-5H2,1H3.
What are the key properties of 1-sulfanyloxypentane?
1-sulfanyloxypentane has a molecular weight of 120.22 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyloxypentane is sourced from PubChem (CID 87932932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).