1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea

C8H16N2OS — CID 2730108

IUPAC1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CO)NC(=S)NC1CC1
InChIInChI=1S/C8H16N2OS/c1-8(2,5-11)10-7(12)9-6-3-4-6/h6,11H,3-5H2,1-2H3,(H2,9,10,12)
InChIKeySMAXGADTRGAOGR-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.38
Rot. Bonds3

About 1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea

1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea (PubChem CID 2730108) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea
PubChem CID2730108
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CO)NC(=S)NC1CC1
InChIInChI=1S/C8H16N2OS/c1-8(2,5-11)10-7(12)9-6-3-4-6/h6,11H,3-5H2,1-2H3,(H2,9,10,12)
InChIKeySMAXGADTRGAOGR-UHFFFAOYSA-N
XLogP0.38
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea (CID 2730108) is 1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea is CC(C)(CO)NC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
The InChIKey is SMAXGADTRGAOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-8(2,5-11)10-7(12)9-6-3-4-6/h6,11H,3-5H2,1-2H3,(H2,9,10,12).
What are the key properties of 1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea has a molecular weight of 188.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-hydroxy-2-methylpropan-2-yl)thiourea is sourced from PubChem (CID 2730108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).