bis(prop-2-enyl)carbamodithioic acid;zinc

C7H11NS2Zn — CID 138400386

IUPACbis(prop-2-enyl)carbamodithioic acid;zinc
SMILESC=CCN(CC=C)C(=S)S.[Zn]
InChIInChI=1S/C7H11NS2.Zn/c1-3-5-8(6-4-2)7(9)10;/h3-4H,1-2,5-6H2,(H,9,10);
InChIKeyWTULGFNMIGDXGW-UHFFFAOYSA-N
MW238.70 g/mol
LogP1.87
Rot. Bonds4

About bis(prop-2-enyl)carbamodithioic acid;zinc

bis(prop-2-enyl)carbamodithioic acid;zinc (PubChem CID 138400386) has the molecular formula C7H11NS2Zn and a molecular weight of 238.70 g/mol. Its IUPAC name is bis(prop-2-enyl)carbamodithioic acid;zinc.

Molecular Properties

Compound Namebis(prop-2-enyl)carbamodithioic acid;zinc
PubChem CID138400386
Molecular FormulaC7H11NS2Zn
Molecular Weight238.70 g/mol
Exact Mass236.96
IUPAC Namebis(prop-2-enyl)carbamodithioic acid;zinc
SMILESC=CCN(CC=C)C(=S)S.[Zn]
InChIInChI=1S/C7H11NS2.Zn/c1-3-5-8(6-4-2)7(9)10;/h3-4H,1-2,5-6H2,(H,9,10);
InChIKeyWTULGFNMIGDXGW-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentyl(prop-2-enyl)carbamodithioic acid
CID 87918210
octadecyl(prop-2-enyl)carbamodithioic acid
CID 132820438
N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid
CID 88674834
diethylcarbamodithioic acid;prop-2-en-1-amine
CID 173061027
bis(prop-2-enyl)carbamothioic S-acid;carbamothioic S-acid
CID 87059651
1-prop-2-enyl-1-sulfanylthiourea
CID 88798839
1-heptyl-1-prop-2-enylthiourea
CID 20555248
3-benzyl-1,1-bis(prop-2-enyl)thiourea
CID 19653097
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
methyl bis(prop-2-enyl)carbamothioylsulfanylformate
CID 15611714
4-N,4-N-bis(prop-2-enyl)piperazine-1,4-dicarbothioamide
CID 57350859

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)carbamodithioic acid;zinc?
The IUPAC name of bis(prop-2-enyl)carbamodithioic acid;zinc (CID 138400386) is bis(prop-2-enyl)carbamodithioic acid;zinc.
What is the SMILES notation for bis(prop-2-enyl)carbamodithioic acid;zinc?
The canonical SMILES for bis(prop-2-enyl)carbamodithioic acid;zinc is C=CCN(CC=C)C(=S)S.[Zn].
What is the InChIKey of bis(prop-2-enyl)carbamodithioic acid;zinc?
The InChIKey is WTULGFNMIGDXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS2.Zn/c1-3-5-8(6-4-2)7(9)10;/h3-4H,1-2,5-6H2,(H,9,10);.
What are the key properties of bis(prop-2-enyl)carbamodithioic acid;zinc?
bis(prop-2-enyl)carbamodithioic acid;zinc has a molecular weight of 238.70 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)carbamodithioic acid;zinc is sourced from PubChem (CID 138400386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).