morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione

C14H19NO4S — CID 975910

IUPACmorpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione
SMILESCOc1cc(OC)c(C(=S)N2CCOCC2)cc1OC
InChIInChI=1S/C14H19NO4S/c1-16-11-9-13(18-3)12(17-2)8-10(11)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyMZGDFUHFLJHIPY-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.72
Rot. Bonds4

About morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione

morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione (PubChem CID 975910) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione.

Molecular Properties

Compound Namemorpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione
PubChem CID975910
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namemorpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione
SMILESCOc1cc(OC)c(C(=S)N2CCOCC2)cc1OC
InChIInChI=1S/C14H19NO4S/c1-16-11-9-13(18-3)12(17-2)8-10(11)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyMZGDFUHFLJHIPY-UHFFFAOYSA-N
XLogP1.72
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4,5-dimethoxy-2-(morpholine-4-carbothioylamino)benzoate
CID 1253395
(3,4-dihydroxy-5-methoxyphenyl)-morpholin-4-ylmethanethione
CID 3054041
(3,5-dichloro-2-methoxyphenyl)-morpholin-4-ylmethanethione
CID 3274273
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037
[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-morpholin-4-ylmethanethione
CID 5216829
morpholin-4-yl-(5,6,7-trimethoxynaphthalen-2-yl)methanethione
CID 110182583
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]-morpholin-4-ylmethanethione
CID 54471594
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
[2-methoxy-4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 1102766
(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 67094298
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione?
The IUPAC name of morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione (CID 975910) is morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione.
What is the SMILES notation for morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione?
The canonical SMILES for morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione is COc1cc(OC)c(C(=S)N2CCOCC2)cc1OC.
What is the InChIKey of morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione?
The InChIKey is MZGDFUHFLJHIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-16-11-9-13(18-3)12(17-2)8-10(11)14(20)15-4-6-19-7-5-15/h8-9H,4-7H2,1-3H3.
What are the key properties of morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione?
morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione has a molecular weight of 297.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(2,4,5-trimethoxyphenyl)methanethione is sourced from PubChem (CID 975910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).