1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea

C10H16N2OS2 — CID 8769278

IUPAC1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
SMILESCCNC(=S)NCCSCc1ccco1
InChIInChI=1S/C10H16N2OS2/c1-2-11-10(14)12-5-7-15-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3,(H2,11,12,14)
InChIKeyGPXRNOHDKJEMHB-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.00
Rot. Bonds6

About 1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea

1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea (PubChem CID 8769278) has the molecular formula C10H16N2OS2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
PubChem CID8769278
Molecular FormulaC10H16N2OS2
Molecular Weight244.38 g/mol
Exact Mass244.07
IUPAC Name1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
SMILESCCNC(=S)NCCSCc1ccco1
InChIInChI=1S/C10H16N2OS2/c1-2-11-10(14)12-5-7-15-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3,(H2,11,12,14)
InChIKeyGPXRNOHDKJEMHB-UHFFFAOYSA-N
XLogP2.00
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
CID 3771523
1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2-propan-2-ylphenyl)thiourea
CID 2447577
1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 3853126
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
CID 11919337
1-(2-bromo-4-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
CID 3713412
1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 74225838
1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100600348
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60690765
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methylbutan-2-amine
CID 62578853
N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 62577157
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 5146775
1-(4-cyanophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 3518746

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea?
The IUPAC name of 1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea (CID 8769278) is 1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea is CCNC(=S)NCCSCc1ccco1.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea?
The InChIKey is GPXRNOHDKJEMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS2/c1-2-11-10(14)12-5-7-15-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3,(H2,11,12,14).
What are the key properties of 1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea?
1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea has a molecular weight of 244.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea is sourced from PubChem (CID 8769278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).