1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea

C9H20N2O2S — CID 115583442

IUPAC1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea
SMILESCOCCOCCNC(=S)NC(C)C
InChIInChI=1S/C9H20N2O2S/c1-8(2)11-9(14)10-4-5-13-7-6-12-3/h8H,4-7H2,1-3H3,(H2,10,11,14)
InChIKeyBLDSKACUSSCDQW-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.52
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea

1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea (PubChem CID 115583442) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea
PubChem CID115583442
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea
SMILESCOCCOCCNC(=S)NC(C)C
InChIInChI=1S/C9H20N2O2S/c1-8(2)11-9(14)10-4-5-13-7-6-12-3/h8H,4-7H2,1-3H3,(H2,10,11,14)
InChIKeyBLDSKACUSSCDQW-UHFFFAOYSA-N
XLogP0.52
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.52
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-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
methyl 3-(propan-2-ylcarbamothioylamino)propanoate
CID 115577210
1-(2-methoxyethyl)-3-(1-methoxy-3-methylbutan-2-yl)thiourea
CID 115647012
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea
CID 103603991
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide
CID 115573844
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
CID 62726665
1-[(2S)-butan-2-yl]-3-(3-methoxypropyl)thiourea
CID 40553594
1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea
CID 104587643
1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115595506

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea (CID 115583442) is 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea is COCCOCCNC(=S)NC(C)C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea?
The InChIKey is BLDSKACUSSCDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(2)11-9(14)10-4-5-13-7-6-12-3/h8H,4-7H2,1-3H3,(H2,10,11,14).
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea?
1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea has a molecular weight of 220.34 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea is sourced from PubChem (CID 115583442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).