N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum

C23H44MoNS2- — CID 175295580

IUPACN-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum
SMILESCCCCCCCCCCCCCCCCN(C(=S)[S-])C1CCCCC1.[Mo]
InChIInChI=1S/C23H45NS2.Mo/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(23(25)26)22-19-16-15-17-20-22;/h22H,2-21H2,1H3,(H,25,26);/p-1
InChIKeyMEHJIWHFPDNARJ-UHFFFAOYSA-M
MW494.69 g/mol
LogP7.93
Rot. Bonds16

About N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum

N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum (PubChem CID 175295580) has the molecular formula C23H44MoNS2- and a molecular weight of 494.69 g/mol. Its IUPAC name is N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum.

Molecular Properties

Compound NameN-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum
PubChem CID175295580
Molecular FormulaC23H44MoNS2-
Molecular Weight494.69 g/mol
Exact Mass496.20
IUPAC NameN-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum
SMILESCCCCCCCCCCCCCCCCN(C(=S)[S-])C1CCCCC1.[Mo]
InChIInChI=1S/C23H45NS2.Mo/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(23(25)26)22-19-16-15-17-20-22;/h22H,2-21H2,1H3,(H,25,26);/p-1
InChIKeyMEHJIWHFPDNARJ-UHFFFAOYSA-M
XLogP7.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.69
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl(tetradecyl)carbamodithioic acid
CID 175279642
N-cyclohexyl-N-hexadecylcyclohexanamine
CID 20533826
N-cyclohexyl-N-octadecylcyclohexanamine
CID 154102011
hexakis(N,N-dihexylcarbamodithioate);molybdenum
CID 18926193
CID 22164562
CID 22164562
1,1-dicyclohexyl-2,2-dihexylhydrazine
CID 57459761
hexakis(N,N-di(tridecyl)carbamodithioate);molybdenum;sulfur monoxide
CID 19708628
4-bromo-N-cyclohexyl-N-hexylbenzamide
CID 54086681
N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
CID 159993444
tetrakis(N-dodecyl-N-hexadecylcarbamodithioate);molybdenum(4+)
CID 141332595
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
sodium N,N-dihexylcarbamodithioate
CID 23671974

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum?
The IUPAC name of N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum (CID 175295580) is N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum.
What is the SMILES notation for N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum?
The canonical SMILES for N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum is CCCCCCCCCCCCCCCCN(C(=S)[S-])C1CCCCC1.[Mo].
What is the InChIKey of N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum?
The InChIKey is MEHJIWHFPDNARJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H45NS2.Mo/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(23(25)26)22-19-16-15-17-20-22;/h22H,2-21H2,1H3,(H,25,26);/p-1.
What are the key properties of N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum?
N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum has a molecular weight of 494.69 g/mol, XLogP of 7.93, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-hexadecylcarbamodithioate;molybdenum is sourced from PubChem (CID 175295580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).