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

C9H18N2OS — CID 23849732

IUPAC1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CO)NC(=S)NCC1CC1
InChIInChI=1S/C9H18N2OS/c1-9(2,6-12)11-8(13)10-5-7-3-4-7/h7,12H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyCHFXNVYUPCDZNU-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.63
Rot. Bonds4

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

1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea (PubChem CID 23849732) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea
PubChem CID23849732
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CO)NC(=S)NCC1CC1
InChIInChI=1S/C9H18N2OS/c1-9(2,6-12)11-8(13)10-5-7-3-4-7/h7,12H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyCHFXNVYUPCDZNU-UHFFFAOYSA-N
XLogP0.63
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.63
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-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea (CID 23849732) is 1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea is CC(C)(CO)NC(=S)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
The InChIKey is CHFXNVYUPCDZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-9(2,6-12)11-8(13)10-5-7-3-4-7/h7,12H,3-6H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea has a molecular weight of 202.32 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea is sourced from PubChem (CID 23849732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).