1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea

C8H18N2OS2 — CID 115760801

IUPAC1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea
SMILESCOCCNC(=S)NCC(C)SC
InChIInChI=1S/C8H18N2OS2/c1-7(13-3)6-10-8(12)9-4-5-11-2/h7H,4-6H2,1-3H3,(H2,9,10,12)
InChIKeyAXSMTBYKSYNRCG-UHFFFAOYSA-N
MW222.38 g/mol
LogP0.85
Rot. Bonds6

About 1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea

1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea (PubChem CID 115760801) has the molecular formula C8H18N2OS2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea
PubChem CID115760801
Molecular FormulaC8H18N2OS2
Molecular Weight222.38 g/mol
Exact Mass222.09
IUPAC Name1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea
SMILESCOCCNC(=S)NCC(C)SC
InChIInChI=1S/C8H18N2OS2/c1-7(13-3)6-10-8(12)9-4-5-11-2/h7H,4-6H2,1-3H3,(H2,9,10,12)
InChIKeyAXSMTBYKSYNRCG-UHFFFAOYSA-N
XLogP0.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 50.85
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-(2,3-dimethylbutyl)-3-(2-methoxyethyl)thiourea
CID 115642325
1-(3-methoxypropyl)-3-(3-methylsulfanylbutyl)thiourea
CID 115604044
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
1-(2-methoxyethyl)-3-(2-piperidin-1-ylpropyl)thiourea
CID 113225528
N-(3-methoxypropyl)-2-methylsulfanylpropan-1-amine
CID 62581365
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea
CID 103603991
1-(2-methoxyethyl)-3-(1-methoxy-3-methylbutan-2-yl)thiourea
CID 115647012
1-(3-methoxy-2-methylpropyl)-3-propylthiourea
CID 115593935
1-(2,2-difluoroethyl)-3-(3-methoxypropyl)thiourea
CID 115667334
1-(2-methoxyethyl)-3-prop-2-enylthiourea
CID 19652099
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide
CID 115760932

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea (CID 115760801) is 1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea is COCCNC(=S)NCC(C)SC.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea?
The InChIKey is AXSMTBYKSYNRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS2/c1-7(13-3)6-10-8(12)9-4-5-11-2/h7H,4-6H2,1-3H3,(H2,9,10,12).
What are the key properties of 1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea?
1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea has a molecular weight of 222.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea is sourced from PubChem (CID 115760801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).