carbamothioyloxycarbamic acid

C2H4N2O3S — CID 54195747

IUPACcarbamothioyloxycarbamic acid
SMILESNC(=S)ONC(=O)O
InChIInChI=1S/C2H4N2O3S/c3-1(8)7-4-2(5)6/h4H,(H2,3,8)(H,5,6)
InChIKeyMZDONGVJOPWMIQ-UHFFFAOYSA-N
MW136.13 g/mol
LogP-0.57
Rot. Bonds

About carbamothioyloxycarbamic acid

carbamothioyloxycarbamic acid (PubChem CID 54195747) has the molecular formula C2H4N2O3S and a molecular weight of 136.13 g/mol. Its IUPAC name is carbamothioyloxycarbamic acid.

Molecular Properties

Compound Namecarbamothioyloxycarbamic acid
PubChem CID54195747
Molecular FormulaC2H4N2O3S
Molecular Weight136.13 g/mol
Exact Mass135.99
IUPAC Namecarbamothioyloxycarbamic acid
SMILESNC(=S)ONC(=O)O
InChIInChI=1S/C2H4N2O3S/c3-1(8)7-4-2(5)6/h4H,(H2,3,8)(H,5,6)
InChIKeyMZDONGVJOPWMIQ-UHFFFAOYSA-N
XLogP-0.57
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

guanidine;hydrazinecarboxylic acid
CID 162000755
2-carbamothioyloxypropanedioic acid
CID 174974553
thiourea;urea
CID 22007323
iron;bis(O-methyl carbamothioate)
CID 87395326
bismuthane;bis(O-methyl carbamothioate)
CID 172996022
azane;O-methyl carbamothioate
CID 162314519
ruthenium;urea
CID 161030938
4-(carbamoylamino)oxy-2-hydroxy-4-oxobutanoic acid
CID 174948995
O-ethyl N-carbamoylcarbamothioate
CID 54333945
4-aminobutoxycarbamic acid
CID 87755942
ethyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]acetate
CID 60812140
(2-carbamoylphenoxy)carbamic acid
CID 174929401

Frequently Asked Questions

What is the IUPAC name of carbamothioyloxycarbamic acid?
The IUPAC name of carbamothioyloxycarbamic acid (CID 54195747) is carbamothioyloxycarbamic acid.
What is the SMILES notation for carbamothioyloxycarbamic acid?
The canonical SMILES for carbamothioyloxycarbamic acid is NC(=S)ONC(=O)O.
What is the InChIKey of carbamothioyloxycarbamic acid?
The InChIKey is MZDONGVJOPWMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O3S/c3-1(8)7-4-2(5)6/h4H,(H2,3,8)(H,5,6).
What are the key properties of carbamothioyloxycarbamic acid?
carbamothioyloxycarbamic acid has a molecular weight of 136.13 g/mol, XLogP of -0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioyloxycarbamic acid is sourced from PubChem (CID 54195747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).