molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid

C4H9MoNO4S3 — CID 88616923

IUPACmolybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid
SMILESC=CCNC(=S)S.O=S(=O)(O)O.[Mo]
InChIInChI=1S/C4H7NS2.Mo.H2O4S/c1-2-3-5-4(6)7;;1-5(2,3)4/h2H,1,3H2,(H2,5,6,7);;(H2,1,2,3,4)
InChIKeyVBJJJEVLVVOULA-UHFFFAOYSA-N
MW327.26 g/mol
LogP0.32
Rot. Bonds2

About molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid

molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid (PubChem CID 88616923) has the molecular formula C4H9MoNO4S3 and a molecular weight of 327.26 g/mol. Its IUPAC name is molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid.

Molecular Properties

Compound Namemolybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid
PubChem CID88616923
Molecular FormulaC4H9MoNO4S3
Molecular Weight327.26 g/mol
Exact Mass328.87
IUPAC Namemolybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid
SMILESC=CCNC(=S)S.O=S(=O)(O)O.[Mo]
InChIInChI=1S/C4H7NS2.Mo.H2O4S/c1-2-3-5-4(6)7;;1-5(2,3)4/h2H,1,3H2,(H2,5,6,7);;(H2,1,2,3,4)
InChIKeyVBJJJEVLVVOULA-UHFFFAOYSA-N
XLogP0.32
TPSA86.63 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

carbamothioic S-acid;molybdenum;prop-2-enylcarbamothioic S-acid;sulfuric acid
CID 88616924
3-oxo-3-(prop-2-enylamino)prop-1-ene-2-sulfonic acid
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CID 6330603
CID 6330603
sodium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydrogen sulfate
CID 172838822
2-(dithiocarboxyamino)ethanesulfonic acid
CID 3037748
O-sulfino N-prop-2-enylcarbamothioate
CID 134111868
CID 174656943
CID 174656943
molybdenum;hexakis(N-prop-2-enylcarbamothioate)
CID 173070392
copper(1+);prop-2-enylcarbamothioylazanide
CID 175057114
N-prop-2-enylbut-2-en-1-amine;sulfuric acid
CID 175332319
4-(dithiocarboxyamino)but-2-enoic acid
CID 173366182
(prop-2-enylamino)methoxymethanedithioic acid
CID 141284890

Frequently Asked Questions

What is the IUPAC name of molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid?
The IUPAC name of molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid (CID 88616923) is molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid.
What is the SMILES notation for molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid?
The canonical SMILES for molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid is C=CCNC(=S)S.O=S(=O)(O)O.[Mo].
What is the InChIKey of molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid?
The InChIKey is VBJJJEVLVVOULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS2.Mo.H2O4S/c1-2-3-5-4(6)7;;1-5(2,3)4/h2H,1,3H2,(H2,5,6,7);;(H2,1,2,3,4).
What are the key properties of molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid?
molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid has a molecular weight of 327.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;prop-2-enylcarbamodithioic acid;sulfuric acid is sourced from PubChem (CID 88616923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).