2-(2-carbamothioylhydrazinyl)ethylcarbamic acid

C4H10N4O2S — CID 174207465

IUPAC2-(2-carbamothioylhydrazinyl)ethylcarbamic acid
SMILESNC(=S)NNCCNC(=O)O
InChIInChI=1S/C4H10N4O2S/c5-3(11)8-7-2-1-6-4(9)10/h6-7H,1-2H2,(H,9,10)(H3,5,8,11)
InChIKeyJBVVVYJAWPCPNV-UHFFFAOYSA-N
MW178.22 g/mol
LogP-1.41
Rot. Bonds4

About 2-(2-carbamothioylhydrazinyl)ethylcarbamic acid

2-(2-carbamothioylhydrazinyl)ethylcarbamic acid (PubChem CID 174207465) has the molecular formula C4H10N4O2S and a molecular weight of 178.22 g/mol. Its IUPAC name is 2-(2-carbamothioylhydrazinyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-carbamothioylhydrazinyl)ethylcarbamic acid
PubChem CID174207465
Molecular FormulaC4H10N4O2S
Molecular Weight178.22 g/mol
Exact Mass178.05
IUPAC Name2-(2-carbamothioylhydrazinyl)ethylcarbamic acid
SMILESNC(=S)NNCCNC(=O)O
InChIInChI=1S/C4H10N4O2S/c5-3(11)8-7-2-1-6-4(9)10/h6-7H,1-2H2,(H,9,10)(H3,5,8,11)
InChIKeyJBVVVYJAWPCPNV-UHFFFAOYSA-N
XLogP-1.41
TPSA99.41 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylhydrazinyl)ethylcarbamic acid?
The IUPAC name of 2-(2-carbamothioylhydrazinyl)ethylcarbamic acid (CID 174207465) is 2-(2-carbamothioylhydrazinyl)ethylcarbamic acid.
What is the SMILES notation for 2-(2-carbamothioylhydrazinyl)ethylcarbamic acid?
The canonical SMILES for 2-(2-carbamothioylhydrazinyl)ethylcarbamic acid is NC(=S)NNCCNC(=O)O.
What is the InChIKey of 2-(2-carbamothioylhydrazinyl)ethylcarbamic acid?
The InChIKey is JBVVVYJAWPCPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2S/c5-3(11)8-7-2-1-6-4(9)10/h6-7H,1-2H2,(H,9,10)(H3,5,8,11).
What are the key properties of 2-(2-carbamothioylhydrazinyl)ethylcarbamic acid?
2-(2-carbamothioylhydrazinyl)ethylcarbamic acid has a molecular weight of 178.22 g/mol, XLogP of -1.41, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylhydrazinyl)ethylcarbamic acid is sourced from PubChem (CID 174207465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).