[(2S)-butan-2-yl]thiourea

C5H12N2S — CID 2432029

IUPAC[(2S)-butan-2-yl]thiourea
SMILESCC[C@H](C)NC(N)=S
InChIInChI=1S/C5H12N2S/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)/t4-/m0/s1
InChIKeyWFDOLCYFWRFQEG-BYPYZUCNSA-N
MW132.23 g/mol
LogP0.62
Rot. Bonds2

About [(2S)-butan-2-yl]thiourea

[(2S)-butan-2-yl]thiourea (PubChem CID 2432029) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is [(2S)-butan-2-yl]thiourea.

Molecular Properties

Compound Name[(2S)-butan-2-yl]thiourea
PubChem CID2432029
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name[(2S)-butan-2-yl]thiourea
SMILESCC[C@H](C)NC(N)=S
InChIInChI=1S/C5H12N2S/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)/t4-/m0/s1
InChIKeyWFDOLCYFWRFQEG-BYPYZUCNSA-N
XLogP0.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.62
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 [(2S)-butan-2-yl]thiourea?
The IUPAC name of [(2S)-butan-2-yl]thiourea (CID 2432029) is [(2S)-butan-2-yl]thiourea.
What is the SMILES notation for [(2S)-butan-2-yl]thiourea?
The canonical SMILES for [(2S)-butan-2-yl]thiourea is CC[C@H](C)NC(N)=S.
What is the InChIKey of [(2S)-butan-2-yl]thiourea?
The InChIKey is WFDOLCYFWRFQEG-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2S/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)/t4-/m0/s1.
What are the key properties of [(2S)-butan-2-yl]thiourea?
[(2S)-butan-2-yl]thiourea has a molecular weight of 132.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl]thiourea is sourced from PubChem (CID 2432029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).