carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid

C5H12MoN2O6S3 — CID 88616924

IUPACcarbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid
SMILESC=CCNC(=O)S.NC(=O)S.O=S(=O)(O)O.[Mo]
InChIInChI=1S/C4H7NOS.CH3NOS.Mo.H2O4S/c1-2-3-5-4(6)7;2-1(3)4;;1-5(2,3)4/h2H,1,3H2,(H2,5,6,7);(H3,2,3,4);;(H2,1,2,3,4)
InChIKeyMUWOKLRHNPETHD-UHFFFAOYSA-N
MW388.30 g/mol
LogP0.15
Rot. Bonds2

About carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid

carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid (PubChem CID 88616924) has the molecular formula C5H12MoN2O6S3 and a molecular weight of 388.30 g/mol. Its IUPAC name is carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid.

Molecular Properties

Compound Namecarbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid
PubChem CID88616924
Molecular FormulaC5H12MoN2O6S3
Molecular Weight388.30 g/mol
Exact Mass389.89
IUPAC Namecarbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid
SMILESC=CCNC(=O)S.NC(=O)S.O=S(=O)(O)O.[Mo]
InChIInChI=1S/C4H7NOS.CH3NOS.Mo.H2O4S/c1-2-3-5-4(6)7;2-1(3)4;;1-5(2,3)4/h2H,1,3H2,(H2,5,6,7);(H3,2,3,4);;(H2,1,2,3,4)
InChIKeyMUWOKLRHNPETHD-UHFFFAOYSA-N
XLogP0.15
TPSA146.79 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 50.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'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;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid?
The IUPAC name of carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid (CID 88616924) is carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid.
What is the SMILES notation for carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid?
The canonical SMILES for carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid is C=CCNC(=O)S.NC(=O)S.O=S(=O)(O)O.[Mo].
What is the InChIKey of carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid?
The InChIKey is MUWOKLRHNPETHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS.CH3NOS.Mo.H2O4S/c1-2-3-5-4(6)7;2-1(3)4;;1-5(2,3)4/h2H,1,3H2,(H2,5,6,7);(H3,2,3,4);;(H2,1,2,3,4).
What are the key properties of carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid?
carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid has a molecular weight of 388.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid is sourced from PubChem (CID 88616924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).