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

C5H12N2OS — CID 22768414

IUPAC(1-hydroxy-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CO)NC(N)=S
InChIInChI=1S/C5H12N2OS/c1-5(2,3-8)7-4(6)9/h8H,3H2,1-2H3,(H3,6,7,9)
InChIKeyGCMJRAGXWMYMMD-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.41
Rot. Bonds2

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

(1-hydroxy-2-methylpropan-2-yl)thiourea (PubChem CID 22768414) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl)thiourea.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl)thiourea
PubChem CID22768414
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name(1-hydroxy-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CO)NC(N)=S
InChIInChI=1S/C5H12N2OS/c1-5(2,3-8)7-4(6)9/h8H,3H2,1-2H3,(H3,6,7,9)
InChIKeyGCMJRAGXWMYMMD-UHFFFAOYSA-N
XLogP-0.41
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.41
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-hydroxy-2-methylpropan-2-yl)thiourea?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl)thiourea (CID 22768414) is (1-hydroxy-2-methylpropan-2-yl)thiourea.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl)thiourea?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl)thiourea is CC(C)(CO)NC(N)=S.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl)thiourea?
The InChIKey is GCMJRAGXWMYMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-5(2,3-8)7-4(6)9/h8H,3H2,1-2H3,(H3,6,7,9).
What are the key properties of (1-hydroxy-2-methylpropan-2-yl)thiourea?
(1-hydroxy-2-methylpropan-2-yl)thiourea has a molecular weight of 148.23 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl)thiourea is sourced from PubChem (CID 22768414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).