1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea

C12H24N2OS — CID 103734943

IUPAC1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea
SMILESCCOCCCNC(=S)NCC1(CC)CC1
InChIInChI=1S/C12H24N2OS/c1-3-12(6-7-12)10-14-11(16)13-8-5-9-15-4-2/h3-10H2,1-2H3,(H2,13,14,16)
InChIKeyDOPDCGWUYIWOQM-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.07
Rot. Bonds8

About 1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea

1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea (PubChem CID 103734943) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea
PubChem CID103734943
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea
SMILESCCOCCCNC(=S)NCC1(CC)CC1
InChIInChI=1S/C12H24N2OS/c1-3-12(6-7-12)10-14-11(16)13-8-5-9-15-4-2/h3-10H2,1-2H3,(H2,13,14,16)
InChIKeyDOPDCGWUYIWOQM-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea (CID 103734943) is 1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea is CCOCCCNC(=S)NCC1(CC)CC1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea?
The InChIKey is DOPDCGWUYIWOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-12(6-7-12)10-14-11(16)13-8-5-9-15-4-2/h3-10H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea?
1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea has a molecular weight of 244.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[(1-ethylcyclopropyl)methyl]thiourea is sourced from PubChem (CID 103734943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).