propoxymethanethiol

C4H10OS — CID 19988566

IUPACpropoxymethanethiol
SMILESCCCOCS
InChIInChI=1S/C4H10OS/c1-2-3-5-4-6/h6H,2-4H2,1H3
InChIKeySBBKRTZIGLQXIK-UHFFFAOYSA-N
MW106.19 g/mol
LogP1.30
Rot. Bonds3

About propoxymethanethiol

propoxymethanethiol (PubChem CID 19988566) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is propoxymethanethiol.

Molecular Properties

Compound Namepropoxymethanethiol
PubChem CID19988566
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Namepropoxymethanethiol
SMILESCCCOCS
InChIInChI=1S/C4H10OS/c1-2-3-5-4-6/h6H,2-4H2,1H3
InChIKeySBBKRTZIGLQXIK-UHFFFAOYSA-N
XLogP1.30
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propoxymethanethiol?
The IUPAC name of propoxymethanethiol (CID 19988566) is propoxymethanethiol.
What is the SMILES notation for propoxymethanethiol?
The canonical SMILES for propoxymethanethiol is CCCOCS.
What is the InChIKey of propoxymethanethiol?
The InChIKey is SBBKRTZIGLQXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS/c1-2-3-5-4-6/h6H,2-4H2,1H3.
What are the key properties of propoxymethanethiol?
propoxymethanethiol has a molecular weight of 106.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propoxymethanethiol is sourced from PubChem (CID 19988566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).