acetamide;carbamothioic S-acid

C5H13N3O3S — CID 160740835

IUPACacetamide;carbamothioic S-acid
SMILESCC(N)=O.CC(N)=O.NC(=O)S
InChIInChI=1S/2C2H5NO.CH3NOS/c2*1-2(3)4;2-1(3)4/h2*1H3,(H2,3,4);(H3,2,3,4)
InChIKeyRVOCPBQDYMUZHY-UHFFFAOYSA-N
MW195.24 g/mol
LogP-1.02
Rot. Bonds

About acetamide;carbamothioic S-acid

acetamide;carbamothioic S-acid (PubChem CID 160740835) has the molecular formula C5H13N3O3S and a molecular weight of 195.24 g/mol. Its IUPAC name is acetamide;carbamothioic S-acid.

Molecular Properties

Compound Nameacetamide;carbamothioic S-acid
PubChem CID160740835
Molecular FormulaC5H13N3O3S
Molecular Weight195.24 g/mol
Exact Mass195.07
IUPAC Nameacetamide;carbamothioic S-acid
SMILESCC(N)=O.CC(N)=O.NC(=O)S
InChIInChI=1S/2C2H5NO.CH3NOS/c2*1-2(3)4;2-1(3)4/h2*1H3,(H2,3,4);(H3,2,3,4)
InChIKeyRVOCPBQDYMUZHY-UHFFFAOYSA-N
XLogP-1.02
TPSA129.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(carbamothioic S-acid);methanethiol
CID 173288560
acetamide
CID 139024037
acetamide;titanium
CID 159756610
CID 87646890
CID 87646890
carbamothioic S-acid;hafnium
CID 89401322
acetamide;alumane
CID 174673000
acetamide;bismuthane
CID 174469104
bis(carbamothioic S-acid);hydrazine
CID 175156320
acetamide;rhodium(2+)
CID 159449063
azane;carbamothioic S-acid
CID 12743068
sodium;bis(carbamothioic S-acid);ethane;hydride
CID 173033677
bis(carbamothioic S-acid);iron;methane
CID 173052593

Frequently Asked Questions

What is the IUPAC name of acetamide;carbamothioic S-acid?
The IUPAC name of acetamide;carbamothioic S-acid (CID 160740835) is acetamide;carbamothioic S-acid.
What is the SMILES notation for acetamide;carbamothioic S-acid?
The canonical SMILES for acetamide;carbamothioic S-acid is CC(N)=O.CC(N)=O.NC(=O)S.
What is the InChIKey of acetamide;carbamothioic S-acid?
The InChIKey is RVOCPBQDYMUZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5NO.CH3NOS/c2*1-2(3)4;2-1(3)4/h2*1H3,(H2,3,4);(H3,2,3,4).
What are the key properties of acetamide;carbamothioic S-acid?
acetamide;carbamothioic S-acid has a molecular weight of 195.24 g/mol, XLogP of -1.02, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;carbamothioic S-acid is sourced from PubChem (CID 160740835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).