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

C9H20N2OS — CID 19652189

IUPAC1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
SMILESCOCCNC(=S)NCCC(C)C
InChIInChI=1S/C9H20N2OS/c1-8(2)4-5-10-9(13)11-6-7-12-3/h8H,4-7H2,1-3H3,(H2,10,11,13)
InChIKeyWGDRSZBRBJNBDY-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.14
Rot. Bonds6

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

1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea (PubChem CID 19652189) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
PubChem CID19652189
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
SMILESCOCCNC(=S)NCCC(C)C
InChIInChI=1S/C9H20N2OS/c1-8(2)4-5-10-9(13)11-6-7-12-3/h8H,4-7H2,1-3H3,(H2,10,11,13)
InChIKeyWGDRSZBRBJNBDY-UHFFFAOYSA-N
XLogP1.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-methoxyethyl)-3-(2-methylsulfanylpropyl)thiourea
CID 115760801
1-(3-methoxypropyl)-3-(3-methylsulfanylbutyl)thiourea
CID 115604044
1-(2-methoxyethyl)-3-(1-methoxy-3-methylbutan-2-yl)thiourea
CID 115647012
1-(2-methoxyethyl)-3-prop-2-enylthiourea
CID 19652099
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
1-(2-methoxyethyl)-3-(4-methylsulfinylbutan-2-yl)thiourea
CID 116510261
1-(dimethylamino)-3-(2-methoxyethyl)thiourea
CID 115570440
1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea
CID 115588050
1-(2-methoxyethyl)-3-(2-piperidin-1-ylpropyl)thiourea
CID 113225528
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea
CID 103603991
1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea
CID 115583442

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea (CID 19652189) is 1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea is COCCNC(=S)NCCC(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea?
The InChIKey is WGDRSZBRBJNBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-8(2)4-5-10-9(13)11-6-7-12-3/h8H,4-7H2,1-3H3,(H2,10,11,13).
What are the key properties of 1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea?
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea has a molecular weight of 204.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea is sourced from PubChem (CID 19652189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).