carbamothioic S-acid;sulfonylurea

C2H5N3O4S2 — CID 174414187

IUPACcarbamothioic S-acid;sulfonylurea
SMILESNC(=O)N=S(=O)=O.NC(=O)S
InChIInChI=1S/CH2N2O3S.CH3NOS/c2-1(4)3-7(5)6;2-1(3)4/h(H2,2,4);(H3,2,3,4)
InChIKeyTUSZSZHHIMLANW-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.88
Rot. Bonds

About carbamothioic S-acid;sulfonylurea

carbamothioic S-acid;sulfonylurea (PubChem CID 174414187) has the molecular formula C2H5N3O4S2 and a molecular weight of 199.21 g/mol. Its IUPAC name is carbamothioic S-acid;sulfonylurea.

Molecular Properties

Compound Namecarbamothioic S-acid;sulfonylurea
PubChem CID174414187
Molecular FormulaC2H5N3O4S2
Molecular Weight199.21 g/mol
Exact Mass198.97
IUPAC Namecarbamothioic S-acid;sulfonylurea
SMILESNC(=O)N=S(=O)=O.NC(=O)S
InChIInChI=1S/CH2N2O3S.CH3NOS/c2-1(4)3-7(5)6;2-1(3)4/h(H2,2,4);(H3,2,3,4)
InChIKeyTUSZSZHHIMLANW-UHFFFAOYSA-N
XLogP-0.88
TPSA132.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamothioic S-acid;sulfonylurea?
The IUPAC name of carbamothioic S-acid;sulfonylurea (CID 174414187) is carbamothioic S-acid;sulfonylurea.
What is the SMILES notation for carbamothioic S-acid;sulfonylurea?
The canonical SMILES for carbamothioic S-acid;sulfonylurea is NC(=O)N=S(=O)=O.NC(=O)S.
What is the InChIKey of carbamothioic S-acid;sulfonylurea?
The InChIKey is TUSZSZHHIMLANW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2O3S.CH3NOS/c2-1(4)3-7(5)6;2-1(3)4/h(H2,2,4);(H3,2,3,4).
What are the key properties of carbamothioic S-acid;sulfonylurea?
carbamothioic S-acid;sulfonylurea has a molecular weight of 199.21 g/mol, XLogP of -0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioic S-acid;sulfonylurea is sourced from PubChem (CID 174414187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).