N-carbamothioylcarbamate

C2H3N2O2S- — CID 18539794

IUPACN-carbamothioylcarbamate
SMILESNC(=S)NC(=O)[O-]
InChIInChI=1S/C2H4N2O2S/c3-1(7)4-2(5)6/h(H,5,6)(H3,3,4,7)/p-1
InChIKeyMFTAJEZTEQICND-UHFFFAOYSA-M
MW119.12 g/mol
LogP-1.84
Rot. Bonds

About N-carbamothioylcarbamate

N-carbamothioylcarbamate (PubChem CID 18539794) has the molecular formula C2H3N2O2S- and a molecular weight of 119.12 g/mol. Its IUPAC name is N-carbamothioylcarbamate.

Molecular Properties

Compound NameN-carbamothioylcarbamate
PubChem CID18539794
Molecular FormulaC2H3N2O2S-
Molecular Weight119.12 g/mol
Exact Mass118.99
IUPAC NameN-carbamothioylcarbamate
SMILESNC(=S)NC(=O)[O-]
InChIInChI=1S/C2H4N2O2S/c3-1(7)4-2(5)6/h(H,5,6)(H3,3,4,7)/p-1
InChIKeyMFTAJEZTEQICND-UHFFFAOYSA-M
XLogP-1.84
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-carbamothioylcarbamate?
The IUPAC name of N-carbamothioylcarbamate (CID 18539794) is N-carbamothioylcarbamate.
What is the SMILES notation for N-carbamothioylcarbamate?
The canonical SMILES for N-carbamothioylcarbamate is NC(=S)NC(=O)[O-].
What is the InChIKey of N-carbamothioylcarbamate?
The InChIKey is MFTAJEZTEQICND-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4N2O2S/c3-1(7)4-2(5)6/h(H,5,6)(H3,3,4,7)/p-1.
What are the key properties of N-carbamothioylcarbamate?
N-carbamothioylcarbamate has a molecular weight of 119.12 g/mol, XLogP of -1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioylcarbamate is sourced from PubChem (CID 18539794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).