zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate

C7H14N2S4Zn — CID 149053660

IUPACzinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-].CN(C)C1SC1[S-].[Zn+2]
InChIInChI=1S/C4H9NS2.C3H7NS2.Zn/c1-5(2)3-4(6)7-3;1-4(2)3(5)6;/h3-4,6H,1-2H3;1-2H3,(H,5,6);/q;;+2/p-2
InChIKeyQKHMSDNFLOQCQH-UHFFFAOYSA-L
MW319.86 g/mol
LogP0.87
Rot. Bonds1

About zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate

zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate (PubChem CID 149053660) has the molecular formula C7H14N2S4Zn and a molecular weight of 319.86 g/mol. Its IUPAC name is zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namezinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate
PubChem CID149053660
Molecular FormulaC7H14N2S4Zn
Molecular Weight319.86 g/mol
Exact Mass317.93
IUPAC Namezinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-].CN(C)C1SC1[S-].[Zn+2]
InChIInChI=1S/C4H9NS2.C3H7NS2.Zn/c1-5(2)3-4(6)7-3;1-4(2)3(5)6;/h3-4,6H,1-2H3;1-2H3,(H,5,6);/q;;+2/p-2
InChIKeyQKHMSDNFLOQCQH-UHFFFAOYSA-L
XLogP0.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

zinc;bis(N,N-dimethylcarbamodithioate);fluoride;iodide
CID 22294344
tetrakis(N,N-dimethylcarbamodithioate);zirconium(4+)
CID 174384958
disodium bis(N,N-dimethylcarbamodithioate)
CID 160761819
potassium N,N-dimethylcarbamodithioate
CID 23662387
carbamodithioic acid;tris(N,N-dimethylcarbamodithioate);iron(3+)
CID 173018200
N,N-dimethylcarbamodithioate;trioctylstannanylium
CID 20561757
sodium N-methyl-N-sulfanylcarbamodithioate
CID 172812180
dimethylamino(sulfanylidene)methanesulfinate;bis(N,N-dimethylcarbamodithioate);iron(3+)
CID 134094508
CID 54599967
CID 54599967
sodium dimethylcarbamodithioic acid
CID 19877808
cerium;dimethylcarbamodithioic acid
CID 174758864
dimethylcarbamodithioic acid;iron(2+)
CID 23619204

Frequently Asked Questions

What is the IUPAC name of zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate?
The IUPAC name of zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate (CID 149053660) is zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate.
What is the SMILES notation for zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate?
The canonical SMILES for zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate is CN(C)C(=S)[S-].CN(C)C1SC1[S-].[Zn+2].
What is the InChIKey of zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate?
The InChIKey is QKHMSDNFLOQCQH-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9NS2.C3H7NS2.Zn/c1-5(2)3-4(6)7-3;1-4(2)3(5)6;/h3-4,6H,1-2H3;1-2H3,(H,5,6);/q;;+2/p-2.
What are the key properties of zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate?
zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate has a molecular weight of 319.86 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;3-(dimethylamino)thiirane-2-thiolate;N,N-dimethylcarbamodithioate is sourced from PubChem (CID 149053660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).