carbamodithioic acid;N-hydroxyacetamide

C3H8N2O2S2 — CID 174762397

IUPACcarbamodithioic acid;N-hydroxyacetamide
SMILESCC(=O)NO.NC(=S)S
InChIInChI=1S/C2H5NO2.CH3NS2/c1-2(4)3-5;2-1(3)4/h5H,1H3,(H,3,4);(H3,2,3,4)
InChIKeyUBDXPWSJOALGAX-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.33
Rot. Bonds

About carbamodithioic acid;N-hydroxyacetamide

carbamodithioic acid;N-hydroxyacetamide (PubChem CID 174762397) has the molecular formula C3H8N2O2S2 and a molecular weight of 168.24 g/mol. Its IUPAC name is carbamodithioic acid;N-hydroxyacetamide.

Molecular Properties

Compound Namecarbamodithioic acid;N-hydroxyacetamide
PubChem CID174762397
Molecular FormulaC3H8N2O2S2
Molecular Weight168.24 g/mol
Exact Mass168.00
IUPAC Namecarbamodithioic acid;N-hydroxyacetamide
SMILESCC(=O)NO.NC(=S)S
InChIInChI=1S/C2H5NO2.CH3NS2/c1-2(4)3-5;2-1(3)4/h5H,1H3,(H,3,4);(H3,2,3,4)
InChIKeyUBDXPWSJOALGAX-UHFFFAOYSA-N
XLogP-0.33
TPSA75.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

acetamide;ethanethioamide
CID 159993772
acetamide;carbamothioic S-acid
CID 160740835
dichloromethane;N-hydroxyacetamide
CID 175349163
acetamide;N-hydroxyacetamide;N-methoxyacetamide;O-methylhydroxylamine
CID 159386054
carbamothioic S-acid;O-methyl carbamothioate;N-propan-2-ylacetamide
CID 88735839
bis(carbamodithioic acid);2-methylprop-1-ene
CID 88714741
ethanethioic S-acid;N'-hydroxybutanediamide
CID 174445258
carbamothioic S-acid;N,N-dimethylacetamide;O-methyl carbamothioate
CID 88607211
bis(carbamothioic S-acid);methanethiol
CID 173288560
carbamothioic S-acid;O-methyl carbamothioate;N-propylacetamide
CID 88780943
carbamodithioic acid;selane
CID 174428895
CID 157375712
CID 157375712

Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;N-hydroxyacetamide?
The IUPAC name of carbamodithioic acid;N-hydroxyacetamide (CID 174762397) is carbamodithioic acid;N-hydroxyacetamide.
What is the SMILES notation for carbamodithioic acid;N-hydroxyacetamide?
The canonical SMILES for carbamodithioic acid;N-hydroxyacetamide is CC(=O)NO.NC(=S)S.
What is the InChIKey of carbamodithioic acid;N-hydroxyacetamide?
The InChIKey is UBDXPWSJOALGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.CH3NS2/c1-2(4)3-5;2-1(3)4/h5H,1H3,(H,3,4);(H3,2,3,4).
What are the key properties of carbamodithioic acid;N-hydroxyacetamide?
carbamodithioic acid;N-hydroxyacetamide has a molecular weight of 168.24 g/mol, XLogP of -0.33, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;N-hydroxyacetamide is sourced from PubChem (CID 174762397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).