methyl morpholine-4-carbodithioate

C6H11NOS2 — CID 5043631

IUPACmethyl morpholine-4-carbodithioate
SMILESCSC(=S)N1CCOCC1
InChIInChI=1S/C6H11NOS2/c1-10-6(9)7-2-4-8-5-3-7/h2-5H2,1H3
InChIKeyVJOUSDFNBHXWJA-UHFFFAOYSA-N
MW177.29 g/mol
LogP0.97
Rot. Bonds

About methyl morpholine-4-carbodithioate

methyl morpholine-4-carbodithioate (PubChem CID 5043631) has the molecular formula C6H11NOS2 and a molecular weight of 177.29 g/mol. Its IUPAC name is methyl morpholine-4-carbodithioate.

Molecular Properties

Compound Namemethyl morpholine-4-carbodithioate
PubChem CID5043631
Molecular FormulaC6H11NOS2
Molecular Weight177.29 g/mol
Exact Mass177.03
IUPAC Namemethyl morpholine-4-carbodithioate
SMILESCSC(=S)N1CCOCC1
InChIInChI=1S/C6H11NOS2/c1-10-6(9)7-2-4-8-5-3-7/h2-5H2,1H3
InChIKeyVJOUSDFNBHXWJA-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-morpholin-4-ylethanethione
CID 142226083
4-(morpholine-4-carbothioyldisulfanyl)butylsulfanyl morpholine-4-carbodithioate
CID 54116361
4-[(Z)-1-methylsulfanylprop-1-enyl]morpholine
CID 134923737
4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine
CID 134986244
[2-hydroxy-3-(morpholine-4-carbothioylsulfanyl)propyl] morpholine-4-carbodithioate
CID 10738700
(2S)-2-(morpholine-4-carbothioylsulfanyl)propanoate
CID 6937490
CID 177489628
CID 177489628
1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbodithioic acid
CID 11187568
methyl morpholine-4-carboximidothioate
CID 8006837
1,4,7-trioxa-10-azacyclododecane-10-carbodithioate
CID 58922118
methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate
CID 88729252
(4-methoxyphenyl) morpholine-4-carbodithioate
CID 23907737

Frequently Asked Questions

What is the IUPAC name of methyl morpholine-4-carbodithioate?
The IUPAC name of methyl morpholine-4-carbodithioate (CID 5043631) is methyl morpholine-4-carbodithioate.
What is the SMILES notation for methyl morpholine-4-carbodithioate?
The canonical SMILES for methyl morpholine-4-carbodithioate is CSC(=S)N1CCOCC1.
What is the InChIKey of methyl morpholine-4-carbodithioate?
The InChIKey is VJOUSDFNBHXWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS2/c1-10-6(9)7-2-4-8-5-3-7/h2-5H2,1H3.
What are the key properties of methyl morpholine-4-carbodithioate?
methyl morpholine-4-carbodithioate has a molecular weight of 177.29 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl morpholine-4-carbodithioate is sourced from PubChem (CID 5043631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).