butyl N-butylcarbamodithioate;tungsten

C9H19NS2W — CID 174676976

IUPACbutyl N-butylcarbamodithioate;tungsten
SMILESCCCCNC(=S)SCCCC.[W]
InChIInChI=1S/C9H19NS2.W/c1-3-5-7-10-9(11)12-8-6-4-2;/h3-8H2,1-2H3,(H,10,11);
InChIKeyQSEKXSSXXJNKAG-UHFFFAOYSA-N
MW389.23 g/mol
LogP3.19
Rot. Bonds6

About butyl N-butylcarbamodithioate;tungsten

butyl N-butylcarbamodithioate;tungsten (PubChem CID 174676976) has the molecular formula C9H19NS2W and a molecular weight of 389.23 g/mol. Its IUPAC name is butyl N-butylcarbamodithioate;tungsten.

Molecular Properties

Compound Namebutyl N-butylcarbamodithioate;tungsten
PubChem CID174676976
Molecular FormulaC9H19NS2W
Molecular Weight389.23 g/mol
Exact Mass389.05
IUPAC Namebutyl N-butylcarbamodithioate;tungsten
SMILESCCCCNC(=S)SCCCC.[W]
InChIInChI=1S/C9H19NS2.W/c1-3-5-7-10-9(11)12-8-6-4-2;/h3-8H2,1-2H3,(H,10,11);
InChIKeyQSEKXSSXXJNKAG-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;butyl N-butylcarbamodithioate;hydride
CID 175317251
pentyl N-pentylcarbamodithioate;zinc
CID 175108822
dodecyl N-dodecylcarbamodithioate;iron
CID 175497864
octyl N-(3-triethoxysilylpropyl)carbamodithioate
CID 20568269
1-butyl-3-(butylcarbamothioylamino)thiourea
CID 5386096
N-butylcarbamothioyl chloride
CID 135275967
1-butyl-3-heptylthiourea
CID 19650868
CID 159121999
CID 159121999
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
methyl butylsulfanylformate
CID 18471928
N-butylheptanethioamide
CID 88529052
1-butyl-3-(3-hydroxypropyl)thiourea
CID 127063787

Frequently Asked Questions

What is the IUPAC name of butyl N-butylcarbamodithioate;tungsten?
The IUPAC name of butyl N-butylcarbamodithioate;tungsten (CID 174676976) is butyl N-butylcarbamodithioate;tungsten.
What is the SMILES notation for butyl N-butylcarbamodithioate;tungsten?
The canonical SMILES for butyl N-butylcarbamodithioate;tungsten is CCCCNC(=S)SCCCC.[W].
What is the InChIKey of butyl N-butylcarbamodithioate;tungsten?
The InChIKey is QSEKXSSXXJNKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2.W/c1-3-5-7-10-9(11)12-8-6-4-2;/h3-8H2,1-2H3,(H,10,11);.
What are the key properties of butyl N-butylcarbamodithioate;tungsten?
butyl N-butylcarbamodithioate;tungsten has a molecular weight of 389.23 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-butylcarbamodithioate;tungsten is sourced from PubChem (CID 174676976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).