carbamothioyl formate

C2H3NO2S — CID 18693035

IUPACcarbamothioyl formate
SMILESNC(=S)OC=O
InChIInChI=1S/C2H3NO2S/c3-2(6)5-1-4/h1H,(H2,3,6)
InChIKeyPIROAQNKFLPZNK-UHFFFAOYSA-N
MW105.12 g/mol
LogP-0.60
Rot. Bonds1

About carbamothioyl formate

carbamothioyl formate (PubChem CID 18693035) has the molecular formula C2H3NO2S and a molecular weight of 105.12 g/mol. Its IUPAC name is carbamothioyl formate.

Molecular Properties

Compound Namecarbamothioyl formate
PubChem CID18693035
Molecular FormulaC2H3NO2S
Molecular Weight105.12 g/mol
Exact Mass104.99
IUPAC Namecarbamothioyl formate
SMILESNC(=S)OC=O
InChIInChI=1S/C2H3NO2S/c3-2(6)5-1-4/h1H,(H2,3,6)
InChIKeyPIROAQNKFLPZNK-UHFFFAOYSA-N
XLogP-0.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;carbamoyl formate;hydride
CID 174868765
formyloxycarbonyl-λ2-plumbane
CID 173056435
carboxy formate;nickel
CID 88728514
ethyl 2-formyloxyprop-2-enoate
CID 134335500
formyl acetate;trihydrate
CID 174475141
azane;formyl acetate
CID 87373456
8-carbamoyldodeca-5,7-dien-5-yl formate
CID 58120527
diethylaminosulfanylcarbothioyl formate
CID 174929359
prop-2-enoxycarbonyloxycarbonyloxycarbonyl formate
CID 87843544
O-(carbamothioyloxymethyl) carbamothioate
CID 88710252
bismuthane;bis(O-methyl carbamothioate)
CID 172996022
iron;bis(O-methyl carbamothioate)
CID 87395326

Frequently Asked Questions

What is the IUPAC name of carbamothioyl formate?
The IUPAC name of carbamothioyl formate (CID 18693035) is carbamothioyl formate.
What is the SMILES notation for carbamothioyl formate?
The canonical SMILES for carbamothioyl formate is NC(=S)OC=O.
What is the InChIKey of carbamothioyl formate?
The InChIKey is PIROAQNKFLPZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO2S/c3-2(6)5-1-4/h1H,(H2,3,6).
What are the key properties of carbamothioyl formate?
carbamothioyl formate has a molecular weight of 105.12 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioyl formate is sourced from PubChem (CID 18693035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).