1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea

C9H18N2S — CID 7342650

IUPAC1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea
SMILESCC[C@H](C)CNC(=S)NC1CC1
InChIInChI=1S/C9H18N2S/c1-3-7(2)6-10-9(12)11-8-4-5-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)/t7-/m0/s1
InChIKeyPYQYIYHHSVUAHI-ZETCQYMHSA-N
MW186.32 g/mol
LogP1.66
Rot. Bonds4

About 1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea

1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea (PubChem CID 7342650) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea
PubChem CID7342650
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea
SMILESCC[C@H](C)CNC(=S)NC1CC1
InChIInChI=1S/C9H18N2S/c1-3-7(2)6-10-9(12)11-8-4-5-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)/t7-/m0/s1
InChIKeyPYQYIYHHSVUAHI-ZETCQYMHSA-N
XLogP1.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-[(2S)-2-methylbutyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea (CID 7342650) is 1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea is CC[C@H](C)CNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea?
The InChIKey is PYQYIYHHSVUAHI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-7(2)6-10-9(12)11-8-4-5-8/h7-8H,3-6H2,1-2H3,(H2,10,11,12)/t7-/m0/s1.
What are the key properties of 1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea?
1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea has a molecular weight of 186.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2S)-2-methylbutyl]thiourea is sourced from PubChem (CID 7342650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).