1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea

C12H26N2O3S — CID 115587999

IUPAC1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)N(CCCOC)CCOC
InChIInChI=1S/C12H26N2O3S/c1-15-9-4-6-13-12(18)14(8-11-17-3)7-5-10-16-2/h4-11H2,1-3H3,(H,13,18)
InChIKeyFRHAYWAOAMGGHE-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.88
Rot. Bonds11

About 1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea

1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea (PubChem CID 115587999) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea
PubChem CID115587999
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)N(CCCOC)CCOC
InChIInChI=1S/C12H26N2O3S/c1-15-9-4-6-13-12(18)14(8-11-17-3)7-5-10-16-2/h4-11H2,1-3H3,(H,13,18)
InChIKeyFRHAYWAOAMGGHE-UHFFFAOYSA-N
XLogP0.88
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
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-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea
CID 115579212
1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea
CID 115570268
1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea
CID 102992244
1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-1-(3-methoxypropyl)thiourea
CID 113225530
3-butyl-1-(3-methoxypropyl)-1-methylthiourea
CID 115595156
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 116508676
3-(3-methoxypropyl)-1-methyl-1-pentylthiourea
CID 116507373
1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea
CID 102992241
3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea
CID 115620797
3-(3-methoxypropyl)-1-methyl-1-(2,2,2-trifluoroethyl)thiourea
CID 116507563
2-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 60981148
1-(4-hydroxyphenyl)-3-(3-methoxypropyl)-1-methylthiourea
CID 3940621

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea (CID 115587999) is 1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea is COCCCNC(=S)N(CCCOC)CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea?
The InChIKey is FRHAYWAOAMGGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-15-9-4-6-13-12(18)14(8-11-17-3)7-5-10-16-2/h4-11H2,1-3H3,(H,13,18).
What are the key properties of 1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea?
1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea has a molecular weight of 278.42 g/mol, XLogP of 0.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea is sourced from PubChem (CID 115587999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).