methyl morpholine-4-carboximidothioate

C6H12N2OS — CID 8006837

IUPACmethyl morpholine-4-carboximidothioate
SMILES[H]/N=C(\SC)N1CCOCC1
InChIInChI=1S/C6H12N2OS/c1-10-6(7)8-2-4-9-5-3-8/h7H,2-5H2,1H3/b7-6-
InChIKeyVWALTDPHAMPZMY-SREVYHEPSA-N
MW160.24 g/mol
LogP0.62
Rot. Bonds

About methyl morpholine-4-carboximidothioate

methyl morpholine-4-carboximidothioate (PubChem CID 8006837) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is methyl morpholine-4-carboximidothioate.

Molecular Properties

Compound Namemethyl morpholine-4-carboximidothioate
PubChem CID8006837
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Namemethyl morpholine-4-carboximidothioate
SMILES[H]/N=C(\SC)N1CCOCC1
InChIInChI=1S/C6H12N2OS/c1-10-6(7)8-2-4-9-5-3-8/h7H,2-5H2,1H3/b7-6-
InChIKeyVWALTDPHAMPZMY-SREVYHEPSA-N
XLogP0.62
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl morpholine-4-carboximidothioate;morpholine-4-carbothioamide;oxolane
CID 162002519
Morpholine-4-carboselenoamide
CID 12008371
methyl morpholine-4-carbodithioate
CID 5043631
ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-imine
CID 163273415
(3,5-dimethyl-1,2-oxazol-4-yl)methyl morpholine-4-carboximidothioate;hydrochloride
CID 75413752
2-imino-1-morpholin-4-ylpropan-1-one
CID 171555876
4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine
CID 134986244
4-[(Z)-1-methylsulfanylprop-1-enyl]morpholine
CID 134923737
1,3-dimorpholin-4-ylpropane-1,3-diimine
CID 123506612
ethane;2-imino-1-morpholin-4-ylpropan-1-one
CID 171555875
(E)-3-fluoro-1-morpholin-4-ylbut-2-en-1-imine
CID 146177470
methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate
CID 170040063

Frequently Asked Questions

What is the IUPAC name of methyl morpholine-4-carboximidothioate?
The IUPAC name of methyl morpholine-4-carboximidothioate (CID 8006837) is methyl morpholine-4-carboximidothioate.
What is the SMILES notation for methyl morpholine-4-carboximidothioate?
The canonical SMILES for methyl morpholine-4-carboximidothioate is [H]/N=C(\SC)N1CCOCC1.
What is the InChIKey of methyl morpholine-4-carboximidothioate?
The InChIKey is VWALTDPHAMPZMY-SREVYHEPSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-10-6(7)8-2-4-9-5-3-8/h7H,2-5H2,1H3/b7-6-.
What are the key properties of methyl morpholine-4-carboximidothioate?
methyl morpholine-4-carboximidothioate has a molecular weight of 160.24 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl morpholine-4-carboximidothioate is sourced from PubChem (CID 8006837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).