bis(N,N-dipentylcarbamodithioate);zinc

C22H44N2S4Zn-2 — CID 3544047

IUPACbis(N,N-dipentylcarbamodithioate);zinc
SMILESCCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-].[Zn]
InChIInChI=1S/2C11H23NS2.Zn/c2*1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h2*3-10H2,1-2H3,(H,13,14);/p-2
InChIKeyFEKRYMHTTVXYKT-UHFFFAOYSA-L
MW530.27 g/mol
LogP7.00
Rot. Bonds16

About bis(N,N-dipentylcarbamodithioate);zinc

bis(N,N-dipentylcarbamodithioate);zinc (PubChem CID 3544047) has the molecular formula C22H44N2S4Zn-2 and a molecular weight of 530.27 g/mol. Its IUPAC name is bis(N,N-dipentylcarbamodithioate);zinc.

Molecular Properties

Compound Namebis(N,N-dipentylcarbamodithioate);zinc
PubChem CID3544047
Molecular FormulaC22H44N2S4Zn-2
Molecular Weight530.27 g/mol
Exact Mass528.17
IUPAC Namebis(N,N-dipentylcarbamodithioate);zinc
SMILESCCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-].[Zn]
InChIInChI=1S/2C11H23NS2.Zn/c2*1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h2*3-10H2,1-2H3,(H,13,14);/p-2
InChIKeyFEKRYMHTTVXYKT-UHFFFAOYSA-L
XLogP7.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.27
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze bis(N,N-dipentylcarbamodithioate);zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 22164562
CID 22164562
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
tetrakis(N-dodecyl-N-hexadecylcarbamodithioate);molybdenum(4+)
CID 141332595
hexakis(N,N-dihexylcarbamodithioate);molybdenum
CID 18926193
sodium N,N-dihexylcarbamodithioate
CID 23671974
hexakis(N,N-di(tridecyl)carbamodithioate);molybdenum;sulfur monoxide
CID 19708628
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
bis(N,N-dibutylcarbamodithioate);nickel(2+)
CID 4523766
cerium(3+);tris(N,N-dibutylcarbamodithioate)
CID 141342374
tetrakis(N,N-didecylcarbamodithioate);tris(oxomolybdenum(4+));tetrasulfide
CID 22989162
N,N-dibutylcarbamodithioate;ethane;nickel(2+)
CID 162055102
zinc;2-(dipentylamino)ethanedithioate;N,N-dipentylcarbamodithioate
CID 523463

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dipentylcarbamodithioate);zinc?
The IUPAC name of bis(N,N-dipentylcarbamodithioate);zinc (CID 3544047) is bis(N,N-dipentylcarbamodithioate);zinc.
What is the SMILES notation for bis(N,N-dipentylcarbamodithioate);zinc?
The canonical SMILES for bis(N,N-dipentylcarbamodithioate);zinc is CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-].[Zn].
What is the InChIKey of bis(N,N-dipentylcarbamodithioate);zinc?
The InChIKey is FEKRYMHTTVXYKT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H23NS2.Zn/c2*1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h2*3-10H2,1-2H3,(H,13,14);/p-2.
What are the key properties of bis(N,N-dipentylcarbamodithioate);zinc?
bis(N,N-dipentylcarbamodithioate);zinc has a molecular weight of 530.27 g/mol, XLogP of 7.00, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dipentylcarbamodithioate);zinc is sourced from PubChem (CID 3544047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).