1-cyclopropyl-3-(3-methoxypropyl)thiourea

C8H16N2OS — CID 5080353

IUPAC1-cyclopropyl-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)NC1CC1
InChIInChI=1S/C8H16N2OS/c1-11-6-2-5-9-8(12)10-7-3-4-7/h7H,2-6H2,1H3,(H2,9,10,12)
InChIKeyYBVUTAKQEOZKEI-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.65
Rot. Bonds5

About 1-cyclopropyl-3-(3-methoxypropyl)thiourea

1-cyclopropyl-3-(3-methoxypropyl)thiourea (PubChem CID 5080353) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-methoxypropyl)thiourea
PubChem CID5080353
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name1-cyclopropyl-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)NC1CC1
InChIInChI=1S/C8H16N2OS/c1-11-6-2-5-9-8(12)10-7-3-4-7/h7H,2-6H2,1H3,(H2,9,10,12)
InChIKeyYBVUTAKQEOZKEI-UHFFFAOYSA-N
XLogP0.65
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.65
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-cyclopropyl-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(3-methoxypropyl)thiourea (CID 5080353) is 1-cyclopropyl-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(3-methoxypropyl)thiourea is COCCCNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-methoxypropyl)thiourea?
The InChIKey is YBVUTAKQEOZKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-11-6-2-5-9-8(12)10-7-3-4-7/h7H,2-6H2,1H3,(H2,9,10,12).
What are the key properties of 1-cyclopropyl-3-(3-methoxypropyl)thiourea?
1-cyclopropyl-3-(3-methoxypropyl)thiourea has a molecular weight of 188.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 5080353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).