O-propyl N-methylcarbamothioate

C5H11NOS — CID 5365293

IUPACO-propyl N-methylcarbamothioate
SMILESCCCOC(=S)NC
InChIInChI=1S/C5H11NOS/c1-3-4-7-5(8)6-2/h3-4H2,1-2H3,(H,6,8)
InChIKeyMEYPXIMYCKNUOB-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.92
Rot. Bonds2

About O-propyl N-methylcarbamothioate

O-propyl N-methylcarbamothioate (PubChem CID 5365293) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is O-propyl N-methylcarbamothioate.

Molecular Properties

Compound NameO-propyl N-methylcarbamothioate
PubChem CID5365293
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameO-propyl N-methylcarbamothioate
SMILESCCCOC(=S)NC
InChIInChI=1S/C5H11NOS/c1-3-4-7-5(8)6-2/h3-4H2,1-2H3,(H,6,8)
InChIKeyMEYPXIMYCKNUOB-UHFFFAOYSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-undecyl N-methylcarbamothioate
CID 3037483
O-heptyl N-methylcarbamothioate
CID 122425095
O-propyl N-hexan-2-ylcarbamothioate
CID 87279810
O-propyl propanethioate
CID 15820857
ethane;propyl N-methylcarbamate
CID 142560404
potassium propoxymethanethioate
CID 163623906
calcium bis(propoxymethanedithioate)
CID 88779396
O-propyl N-(1-adamantyl)carbamothioate
CID 2827998
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
methane;bis(O-methyl N-methylcarbamothioate)
CID 161405715
O-butyl N-[6-(butoxycarbothioylamino)hexyl]carbamothioate
CID 90399714
O-propyl N-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]carbamothioate
CID 26476171

Frequently Asked Questions

What is the IUPAC name of O-propyl N-methylcarbamothioate?
The IUPAC name of O-propyl N-methylcarbamothioate (CID 5365293) is O-propyl N-methylcarbamothioate.
What is the SMILES notation for O-propyl N-methylcarbamothioate?
The canonical SMILES for O-propyl N-methylcarbamothioate is CCCOC(=S)NC.
What is the InChIKey of O-propyl N-methylcarbamothioate?
The InChIKey is MEYPXIMYCKNUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-3-4-7-5(8)6-2/h3-4H2,1-2H3,(H,6,8).
What are the key properties of O-propyl N-methylcarbamothioate?
O-propyl N-methylcarbamothioate has a molecular weight of 133.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-propyl N-methylcarbamothioate is sourced from PubChem (CID 5365293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).