N-(2-ethylhexyl)carbamodithioate;molybdenum

C9H18MoNS2- — CID 174269614

IUPACN-(2-ethylhexyl)carbamodithioate;molybdenum
SMILESCCCCC(CC)CNC(=S)[S-].[Mo]
InChIInChI=1S/C9H19NS2.Mo/c1-3-5-6-8(4-2)7-10-9(11)12;/h8H,3-7H2,1-2H3,(H2,10,11,12);/p-1
InChIKeyBIQNUZOSGUISNE-UHFFFAOYSA-M
MW300.32 g/mol
LogP2.62
Rot. Bonds6

About N-(2-ethylhexyl)carbamodithioate;molybdenum

N-(2-ethylhexyl)carbamodithioate;molybdenum (PubChem CID 174269614) has the molecular formula C9H18MoNS2- and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(2-ethylhexyl)carbamodithioate;molybdenum.

Molecular Properties

Compound NameN-(2-ethylhexyl)carbamodithioate;molybdenum
PubChem CID174269614
Molecular FormulaC9H18MoNS2-
Molecular Weight300.32 g/mol
Exact Mass301.99
IUPAC NameN-(2-ethylhexyl)carbamodithioate;molybdenum
SMILESCCCCC(CC)CNC(=S)[S-].[Mo]
InChIInChI=1S/C9H19NS2.Mo/c1-3-5-6-8(4-2)7-10-9(11)12;/h8H,3-7H2,1-2H3,(H2,10,11,12);/p-1
InChIKeyBIQNUZOSGUISNE-UHFFFAOYSA-M
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
hexakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum
CID 18173000
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
N-(2-ethylhexyl)-2-hydroxy-2-methylpropanamide
CID 104936564
2-bromo-N-(2-ethylhexyl)butanamide
CID 62854370
2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
1-(3,5-dimethylphenyl)-3-(2-ethylhexyl)thiourea
CID 19651746
1-(2-ethylhexyl)-3-(4-methylphenyl)thiourea
CID 19651723
N,2-diethylhexan-1-amine
CID 14272988
(E)-N-(2-ethylhexyl)but-2-enamide
CID 23335626

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)carbamodithioate;molybdenum?
The IUPAC name of N-(2-ethylhexyl)carbamodithioate;molybdenum (CID 174269614) is N-(2-ethylhexyl)carbamodithioate;molybdenum.
What is the SMILES notation for N-(2-ethylhexyl)carbamodithioate;molybdenum?
The canonical SMILES for N-(2-ethylhexyl)carbamodithioate;molybdenum is CCCCC(CC)CNC(=S)[S-].[Mo].
What is the InChIKey of N-(2-ethylhexyl)carbamodithioate;molybdenum?
The InChIKey is BIQNUZOSGUISNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NS2.Mo/c1-3-5-6-8(4-2)7-10-9(11)12;/h8H,3-7H2,1-2H3,(H2,10,11,12);/p-1.
What are the key properties of N-(2-ethylhexyl)carbamodithioate;molybdenum?
N-(2-ethylhexyl)carbamodithioate;molybdenum has a molecular weight of 300.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)carbamodithioate;molybdenum is sourced from PubChem (CID 174269614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).