tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)

C68H136MoN4S8 — CID 14251989

IUPACtetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].[Mo+4]
InChIInChI=1S/4C17H35NS2.Mo/c4*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h4*15-16H,5-14H2,1-4H3,(H,19,20);/q;;;;+4/p-4
InChIKeyVKWSVAFRVDBHFR-UHFFFAOYSA-J
MW1362.34 g/mol
LogP22.21
Rot. Bonds48

About tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)

tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+) (PubChem CID 14251989) has the molecular formula C68H136MoN4S8 and a molecular weight of 1362.34 g/mol. Its IUPAC name is tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+).

Molecular Properties

Compound Nametetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)
PubChem CID14251989
Molecular FormulaC68H136MoN4S8
Molecular Weight1362.34 g/mol
Exact Mass1362.76
IUPAC Nametetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].[Mo+4]
InChIInChI=1S/4C17H35NS2.Mo/c4*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h4*15-16H,5-14H2,1-4H3,(H,19,20);/q;;;;+4/p-4
InChIKeyVKWSVAFRVDBHFR-UHFFFAOYSA-J
XLogP22.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds48
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001362.34
LogP ≤ 522.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+) 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

hexakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum
CID 18173000
bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide
CID 175930212
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
CID 129361637
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
[bis(2-ethylhexyl)amino]oxymethanedithioic acid
CID 87721490
2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide
CID 20752249
N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide
CID 125400279
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
tetrakis(N-dodecyl-N-hexadecylcarbamodithioate);molybdenum(4+)
CID 141332595

Frequently Asked Questions

What is the IUPAC name of tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)?
The IUPAC name of tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+) (CID 14251989) is tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+).
What is the SMILES notation for tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)?
The canonical SMILES for tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+) is CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].[Mo+4].
What is the InChIKey of tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)?
The InChIKey is VKWSVAFRVDBHFR-UHFFFAOYSA-J. The full InChI is InChI=1S/4C17H35NS2.Mo/c4*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h4*15-16H,5-14H2,1-4H3,(H,19,20);/q;;;;+4/p-4.
What are the key properties of tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)?
tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+) has a molecular weight of 1362.34 g/mol, XLogP of 22.21, 48 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+) is sourced from PubChem (CID 14251989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).