carbamothioic S-acid;hydrazinecarboxylic acid

C2H7N3O3S — CID 174980656

IUPACcarbamothioic S-acid;hydrazinecarboxylic acid
SMILESNC(=O)S.NNC(=O)O
InChIInChI=1S/CH4N2O2.CH3NOS/c2-3-1(4)5;2-1(3)4/h3H,2H2,(H,4,5);(H3,2,3,4)
InChIKeyWCBXAAYYGOTVRX-UHFFFAOYSA-N
MW153.16 g/mol
LogP-0.88
Rot. Bonds

About carbamothioic S-acid;hydrazinecarboxylic acid

carbamothioic S-acid;hydrazinecarboxylic acid (PubChem CID 174980656) has the molecular formula C2H7N3O3S and a molecular weight of 153.16 g/mol. Its IUPAC name is carbamothioic S-acid;hydrazinecarboxylic acid.

Molecular Properties

Compound Namecarbamothioic S-acid;hydrazinecarboxylic acid
PubChem CID174980656
Molecular FormulaC2H7N3O3S
Molecular Weight153.16 g/mol
Exact Mass153.02
IUPAC Namecarbamothioic S-acid;hydrazinecarboxylic acid
SMILESNC(=O)S.NNC(=O)O
InChIInChI=1S/CH4N2O2.CH3NOS/c2-3-1(4)5;2-1(3)4/h3H,2H2,(H,4,5);(H3,2,3,4)
InChIKeyWCBXAAYYGOTVRX-UHFFFAOYSA-N
XLogP-0.88
TPSA118.44 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-0.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

guanidine;hydrazinecarboxylic acid
CID 162000755
CID 87646890
CID 87646890
carbamothioic S-acid;hafnium
CID 89401322
bis(carbamothioic S-acid);hydrazine
CID 175156320
azane;carbamothioic S-acid
CID 12743068
but-2-ene;hydrazinecarboxylic acid
CID 174628271
bis(carbamothioic S-acid);iron;methane
CID 173052593
dipotassium;carbamothioic S-acid;hydride
CID 174982540
CID 174610830
CID 174610830
bis(carbamothioic S-acid);methanethiol
CID 173288560
tert-butylsilane;hydrazinecarboxylic acid
CID 174755643
sodium;hydrazinecarboxylic acid;hydride;(methyldisulfanyl)methane
CID 174394473

Frequently Asked Questions

What is the IUPAC name of carbamothioic S-acid;hydrazinecarboxylic acid?
The IUPAC name of carbamothioic S-acid;hydrazinecarboxylic acid (CID 174980656) is carbamothioic S-acid;hydrazinecarboxylic acid.
What is the SMILES notation for carbamothioic S-acid;hydrazinecarboxylic acid?
The canonical SMILES for carbamothioic S-acid;hydrazinecarboxylic acid is NC(=O)S.NNC(=O)O.
What is the InChIKey of carbamothioic S-acid;hydrazinecarboxylic acid?
The InChIKey is WCBXAAYYGOTVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O2.CH3NOS/c2-3-1(4)5;2-1(3)4/h3H,2H2,(H,4,5);(H3,2,3,4).
What are the key properties of carbamothioic S-acid;hydrazinecarboxylic acid?
carbamothioic S-acid;hydrazinecarboxylic acid has a molecular weight of 153.16 g/mol, XLogP of -0.88, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioic S-acid;hydrazinecarboxylic acid is sourced from PubChem (CID 174980656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).