O-hydroxy N,N-dimethylcarbamothioate

C3H7NO2S — CID 126671146

IUPACO-hydroxy N,N-dimethylcarbamothioate
SMILESCN(C)C(=S)OO
InChIInChI=1S/C3H7NO2S/c1-4(2)3(7)6-5/h5H,1-2H3
InChIKeyIOTPFIAGCNFGKX-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.32
Rot. Bonds

About O-hydroxy N,N-dimethylcarbamothioate

O-hydroxy N,N-dimethylcarbamothioate (PubChem CID 126671146) has the molecular formula C3H7NO2S and a molecular weight of 121.16 g/mol. Its IUPAC name is O-hydroxy N,N-dimethylcarbamothioate.

Molecular Properties

Compound NameO-hydroxy N,N-dimethylcarbamothioate
PubChem CID126671146
Molecular FormulaC3H7NO2S
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC NameO-hydroxy N,N-dimethylcarbamothioate
SMILESCN(C)C(=S)OO
InChIInChI=1S/C3H7NO2S/c1-4(2)3(7)6-5/h5H,1-2H3
InChIKeyIOTPFIAGCNFGKX-UHFFFAOYSA-N
XLogP0.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylcarbamothioyl fluoride
CID 71367406
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
dimethylcarbamodithioic acid;iron(2+)
CID 23619204
tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958
CID 54599967
CID 54599967
N,N-dimethylethanethioamide;hydrazine
CID 159847458
cesium dimethylamino(sulfanylidene)methaneselenolate
CID 102272545
potassium N,N-dimethylcarbamodithioate
CID 23662387
sodium dimethylcarbamodithioic acid
CID 19877808
cerium;dimethylcarbamodithioic acid
CID 174758864
CID 173142066
CID 173142066
O-[4-(hydroxymethyl)phenyl] N,N-dimethylcarbamothioate
CID 177308469

Frequently Asked Questions

What is the IUPAC name of O-hydroxy N,N-dimethylcarbamothioate?
The IUPAC name of O-hydroxy N,N-dimethylcarbamothioate (CID 126671146) is O-hydroxy N,N-dimethylcarbamothioate.
What is the SMILES notation for O-hydroxy N,N-dimethylcarbamothioate?
The canonical SMILES for O-hydroxy N,N-dimethylcarbamothioate is CN(C)C(=S)OO.
What is the InChIKey of O-hydroxy N,N-dimethylcarbamothioate?
The InChIKey is IOTPFIAGCNFGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S/c1-4(2)3(7)6-5/h5H,1-2H3.
What are the key properties of O-hydroxy N,N-dimethylcarbamothioate?
O-hydroxy N,N-dimethylcarbamothioate has a molecular weight of 121.16 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-hydroxy N,N-dimethylcarbamothioate is sourced from PubChem (CID 126671146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).