2-hydroxyethyl N,N-dibutylcarbamodithioate

C11H23NOS2 — CID 162787581

IUPAC2-hydroxyethyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SCCO
InChIInChI=1S/C11H23NOS2/c1-3-5-7-12(8-6-4-2)11(14)15-10-9-13/h13H,3-10H2,1-2H3
InChIKeyNPOWARKNHHGLFQ-UHFFFAOYSA-N
MW249.44 g/mol
LogP2.90
Rot. Bonds8

About 2-hydroxyethyl N,N-dibutylcarbamodithioate

2-hydroxyethyl N,N-dibutylcarbamodithioate (PubChem CID 162787581) has the molecular formula C11H23NOS2 and a molecular weight of 249.44 g/mol. Its IUPAC name is 2-hydroxyethyl N,N-dibutylcarbamodithioate.

Molecular Properties

Compound Name2-hydroxyethyl N,N-dibutylcarbamodithioate
PubChem CID162787581
Molecular FormulaC11H23NOS2
Molecular Weight249.44 g/mol
Exact Mass249.12
IUPAC Name2-hydroxyethyl N,N-dibutylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SCCO
InChIInChI=1S/C11H23NOS2/c1-3-5-7-12(8-6-4-2)11(14)15-10-9-13/h13H,3-10H2,1-2H3
InChIKeyNPOWARKNHHGLFQ-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxyethyl diethylcarbamodithioate
CID 220691
4-Hydroxy-6-methyl-3-propyl-1,3-thiazinane-2-thione
CID 139230873
3-Butyl-4-hydroxy-6-methyl-1,3-thiazinane-2-thione
CID 139230875
4-[(Diethylcarbamothioyl)sulfanyl]butan-1-ol
CID 122164068
3-(Diethylamino)-2-hydroxypropyl diethylcarbamodithioate
CID 129845273
Carbamodithioic acid, dibutyl-, 2,3-dihydroxypropyl ester
CID 11572708
2-hydroxypropyl N,N-dibutylcarbamodithioate
CID 15742902
3-hydroxypropyl N,N-diethylcarbamodithioate
CID 16726125
(2-hydroxy-3-methylsulfanylpropyl) N,N-dibutylcarbamodithioate
CID 20756511
1-methoxyethyl N,N-dibutylcarbamodithioate
CID 22410967
2-hydroxyethyl N,N-di(propan-2-yl)carbamodithioate
CID 53251848
3-hydroxypropyl N,N-dibutylcarbamodithioate
CID 58858695

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N,N-dibutylcarbamodithioate?
The IUPAC name of 2-hydroxyethyl N,N-dibutylcarbamodithioate (CID 162787581) is 2-hydroxyethyl N,N-dibutylcarbamodithioate.
What is the SMILES notation for 2-hydroxyethyl N,N-dibutylcarbamodithioate?
The canonical SMILES for 2-hydroxyethyl N,N-dibutylcarbamodithioate is CCCCN(CCCC)C(=S)SCCO.
What is the InChIKey of 2-hydroxyethyl N,N-dibutylcarbamodithioate?
The InChIKey is NPOWARKNHHGLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS2/c1-3-5-7-12(8-6-4-2)11(14)15-10-9-13/h13H,3-10H2,1-2H3.
What are the key properties of 2-hydroxyethyl N,N-dibutylcarbamodithioate?
2-hydroxyethyl N,N-dibutylcarbamodithioate has a molecular weight of 249.44 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N,N-dibutylcarbamodithioate is sourced from PubChem (CID 162787581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).