O-[(Z)-prop-1-enyl] methanethioate

C4H6OS — CID 173167979

IUPACO-[(Z)-prop-1-enyl] methanethioate
SMILESC/C=C\OC=S
InChIInChI=1S/C4H6OS/c1-2-3-5-4-6/h2-4H,1H3/b3-2-
InChIKeyXNQGHFFEWPTWGL-IHWYPQMZSA-N
MW102.16 g/mol
LogP1.49
Rot. Bonds2

About O-[(Z)-prop-1-enyl] methanethioate

O-[(Z)-prop-1-enyl] methanethioate (PubChem CID 173167979) has the molecular formula C4H6OS and a molecular weight of 102.16 g/mol. Its IUPAC name is O-[(Z)-prop-1-enyl] methanethioate.

Molecular Properties

Compound NameO-[(Z)-prop-1-enyl] methanethioate
PubChem CID173167979
Molecular FormulaC4H6OS
Molecular Weight102.16 g/mol
Exact Mass102.01
IUPAC NameO-[(Z)-prop-1-enyl] methanethioate
SMILESC/C=C\OC=S
InChIInChI=1S/C4H6OS/c1-2-3-5-4-6/h2-4H,1H3/b3-2-
InChIKeyXNQGHFFEWPTWGL-IHWYPQMZSA-N
XLogP1.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 173289194
1-prop-1-enoxyhex-1-ene
CID 57015059
O-prop-1-enylhydroxylamine;hydrochloride
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(Z)-1-(1,1-dimethoxyethoxy)prop-1-ene
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Frequently Asked Questions

What is the IUPAC name of O-[(Z)-prop-1-enyl] methanethioate?
The IUPAC name of O-[(Z)-prop-1-enyl] methanethioate (CID 173167979) is O-[(Z)-prop-1-enyl] methanethioate.
What is the SMILES notation for O-[(Z)-prop-1-enyl] methanethioate?
The canonical SMILES for O-[(Z)-prop-1-enyl] methanethioate is C/C=C\OC=S.
What is the InChIKey of O-[(Z)-prop-1-enyl] methanethioate?
The InChIKey is XNQGHFFEWPTWGL-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H6OS/c1-2-3-5-4-6/h2-4H,1H3/b3-2-.
What are the key properties of O-[(Z)-prop-1-enyl] methanethioate?
O-[(Z)-prop-1-enyl] methanethioate has a molecular weight of 102.16 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(Z)-prop-1-enyl] methanethioate is sourced from PubChem (CID 173167979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).