butyl N-morpholin-4-ylcarbamodithioate

C9H18N2OS2 — CID 19832438

IUPACbutyl N-morpholin-4-ylcarbamodithioate
SMILESCCCCSC(=S)NN1CCOCC1
InChIInChI=1S/C9H18N2OS2/c1-2-3-8-14-9(13)10-11-4-6-12-7-5-11/h2-8H2,1H3,(H,10,13)
InChIKeyFVHDWEBGMQIETH-UHFFFAOYSA-N
MW234.39 g/mol
LogP1.64
Rot. Bonds4

About butyl N-morpholin-4-ylcarbamodithioate

butyl N-morpholin-4-ylcarbamodithioate (PubChem CID 19832438) has the molecular formula C9H18N2OS2 and a molecular weight of 234.39 g/mol. Its IUPAC name is butyl N-morpholin-4-ylcarbamodithioate.

Molecular Properties

Compound Namebutyl N-morpholin-4-ylcarbamodithioate
PubChem CID19832438
Molecular FormulaC9H18N2OS2
Molecular Weight234.39 g/mol
Exact Mass234.09
IUPAC Namebutyl N-morpholin-4-ylcarbamodithioate
SMILESCCCCSC(=S)NN1CCOCC1
InChIInChI=1S/C9H18N2OS2/c1-2-3-8-14-9(13)10-11-4-6-12-7-5-11/h2-8H2,1H3,(H,10,13)
InChIKeyFVHDWEBGMQIETH-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl morpholin-4-ylcarbamothioylsulfanylformate
CID 154184493
butyl N-butylcarbamodithioate;tungsten
CID 174676976
lithium;butyl N-butylcarbamodithioate;hydride
CID 175317251
N-morpholin-4-yloctadec-9-enamide
CID 91252017
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915
1-(2-methylprop-2-enyl)-3-morpholin-4-ylthiourea
CID 3643594
4-(hexylsulfanylmethyl)morpholine
CID 141157858
1-morpholin-4-yldodecane-1-thione
CID 10379215
N-morpholin-4-yl-3-[3-(morpholin-4-ylamino)-3-oxopropyl]sulfanylpropanamide
CID 4586516
4-pentylsulfanylmorpholine
CID 134928902
dihexyl piperazine-1,4-dicarbodithioate
CID 10549351
pentyl N-pentylcarbamodithioate;zinc
CID 175108822

Frequently Asked Questions

What is the IUPAC name of butyl N-morpholin-4-ylcarbamodithioate?
The IUPAC name of butyl N-morpholin-4-ylcarbamodithioate (CID 19832438) is butyl N-morpholin-4-ylcarbamodithioate.
What is the SMILES notation for butyl N-morpholin-4-ylcarbamodithioate?
The canonical SMILES for butyl N-morpholin-4-ylcarbamodithioate is CCCCSC(=S)NN1CCOCC1.
What is the InChIKey of butyl N-morpholin-4-ylcarbamodithioate?
The InChIKey is FVHDWEBGMQIETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS2/c1-2-3-8-14-9(13)10-11-4-6-12-7-5-11/h2-8H2,1H3,(H,10,13).
What are the key properties of butyl N-morpholin-4-ylcarbamodithioate?
butyl N-morpholin-4-ylcarbamodithioate has a molecular weight of 234.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-morpholin-4-ylcarbamodithioate is sourced from PubChem (CID 19832438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).