methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate

C8H17N2OPS4 — CID 88729252

IUPACmethyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate
SMILESCSC(=NP(=S)(SC)SC)N1CCOCC1
InChIInChI=1S/C8H17N2OPS4/c1-14-8(9-12(13,15-2)16-3)10-4-6-11-7-5-10/h4-7H2,1-3H3
InChIKeyGFIPXEMNGSRENB-UHFFFAOYSA-N
MW316.48 g/mol
LogP2.99
Rot. Bonds3

About methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate

methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate (PubChem CID 88729252) has the molecular formula C8H17N2OPS4 and a molecular weight of 316.48 g/mol. Its IUPAC name is methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate.

Molecular Properties

Compound Namemethyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate
PubChem CID88729252
Molecular FormulaC8H17N2OPS4
Molecular Weight316.48 g/mol
Exact Mass316.00
IUPAC Namemethyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate
SMILESCSC(=NP(=S)(SC)SC)N1CCOCC1
InChIInChI=1S/C8H17N2OPS4/c1-14-8(9-12(13,15-2)16-3)10-4-6-11-7-5-10/h4-7H2,1-3H3
InChIKeyGFIPXEMNGSRENB-UHFFFAOYSA-N
XLogP2.99
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl morpholine-4-carbodithioate
CID 5043631
methyl (4Z)-N-[(Z)-[amino(pyrimidin-2-yl)methylidene]amino]morpholine-4-carboximidothioate
CID 170856500
4-[(Z)-1-methylsulfanylprop-1-enyl]morpholine
CID 134923737
4-(2-methyl-1-methylsulfanylprop-1-enyl)morpholine
CID 134986244
methyl (4Z)-N-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-4-carboximidothioate
CID 134095325
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
methyl morpholine-4-carboximidothioate
CID 8006837
methyl N-(1-morpholin-4-ylethenyl)-N'-propan-2-ylcarbamimidothioate
CID 170040063
ethane;1-morpholin-4-ylethanethione
CID 142226083
N-[(1Z)-3-methylbuta-1,3-dienyl]-1-morpholin-4-ylethanimine
CID 170440486

Frequently Asked Questions

What is the IUPAC name of methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate?
The IUPAC name of methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate (CID 88729252) is methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate.
What is the SMILES notation for methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate?
The canonical SMILES for methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate is CSC(=NP(=S)(SC)SC)N1CCOCC1.
What is the InChIKey of methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate?
The InChIKey is GFIPXEMNGSRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2OPS4/c1-14-8(9-12(13,15-2)16-3)10-4-6-11-7-5-10/h4-7H2,1-3H3.
What are the key properties of methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate?
methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate has a molecular weight of 316.48 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-bis(methylsulfanyl)phosphinothioylmorpholine-4-carboximidothioate is sourced from PubChem (CID 88729252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).