1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea

C18H20N2O2S2 — CID 8627344

IUPAC1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea
SMILESCOc1cc2c(cc1NC(=S)NCCCSC)oc1ccccc12
InChIInChI=1S/C18H20N2O2S2/c1-21-17-10-13-12-6-3-4-7-15(12)22-16(13)11-14(17)20-18(23)19-8-5-9-24-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,19,20,23)
InChIKeyFAVWGWBLHUOSPA-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.63
Rot. Bonds6

About 1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea

1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea (PubChem CID 8627344) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea
PubChem CID8627344
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea
SMILESCOc1cc2c(cc1NC(=S)NCCCSC)oc1ccccc12
InChIInChI=1S/C18H20N2O2S2/c1-21-17-10-13-12-6-3-4-7-15(12)22-16(13)11-14(17)20-18(23)19-8-5-9-24-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,19,20,23)
InChIKeyFAVWGWBLHUOSPA-UHFFFAOYSA-N
XLogP4.63
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
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

1-[2-[8-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]octoxy]phenyl]-3-sulfanylideneurea
CID 90834146
1-(3,5-dimethylphenyl)-3-(2-methoxydibenzofuran-3-yl)thiourea
CID 17267872
1-(2-methoxydibenzofuran-3-yl)-3-(4-phenoxyphenyl)thiourea
CID 23823921
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
3,5-dimethoxy-N-[(2-methoxydibenzofuran-3-yl)carbamothioyl]benzamide
CID 3762695
N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide
CID 8777447
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-methoxydibenzofuran-3-yl)thiourea
CID 11919267
N'-(2-methoxydibenzofuran-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide
CID 2215815
1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55696455
3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 86986993
methyl 5-benzyl-2-[(2-methoxydibenzofuran-3-yl)carbamothioylamino]thiophene-3-carboxylate
CID 19677632
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea?
The IUPAC name of 1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea (CID 8627344) is 1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea.
What is the SMILES notation for 1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea?
The canonical SMILES for 1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea is COc1cc2c(cc1NC(=S)NCCCSC)oc1ccccc12.
What is the InChIKey of 1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea?
The InChIKey is FAVWGWBLHUOSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-21-17-10-13-12-6-3-4-7-15(12)22-16(13)11-14(17)20-18(23)19-8-5-9-24-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea?
1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea has a molecular weight of 360.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxydibenzofuran-3-yl)-3-(3-methylsulfanylpropyl)thiourea is sourced from PubChem (CID 8627344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).