(2-hydroxy-3-sulfanylpropyl)urea

C4H10N2O2S — CID 151864003

IUPAC(2-hydroxy-3-sulfanylpropyl)urea
SMILESNC(=O)NCC(O)CS
InChIInChI=1S/C4H10N2O2S/c5-4(8)6-1-3(7)2-9/h3,7,9H,1-2H2,(H3,5,6,8)
InChIKeySLHCQPFWPJWQAW-UHFFFAOYSA-N
MW150.20 g/mol
LogP-1.05
Rot. Bonds3

About (2-hydroxy-3-sulfanylpropyl)urea

(2-hydroxy-3-sulfanylpropyl)urea (PubChem CID 151864003) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is (2-hydroxy-3-sulfanylpropyl)urea.

Molecular Properties

Compound Name(2-hydroxy-3-sulfanylpropyl)urea
PubChem CID151864003
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Name(2-hydroxy-3-sulfanylpropyl)urea
SMILESNC(=O)NCC(O)CS
InChIInChI=1S/C4H10N2O2S/c5-4(8)6-1-3(7)2-9/h3,7,9H,1-2H2,(H3,5,6,8)
InChIKeySLHCQPFWPJWQAW-UHFFFAOYSA-N
XLogP-1.05
TPSA75.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-sulfanylpropyl)urea?
The IUPAC name of (2-hydroxy-3-sulfanylpropyl)urea (CID 151864003) is (2-hydroxy-3-sulfanylpropyl)urea.
What is the SMILES notation for (2-hydroxy-3-sulfanylpropyl)urea?
The canonical SMILES for (2-hydroxy-3-sulfanylpropyl)urea is NC(=O)NCC(O)CS.
What is the InChIKey of (2-hydroxy-3-sulfanylpropyl)urea?
The InChIKey is SLHCQPFWPJWQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c5-4(8)6-1-3(7)2-9/h3,7,9H,1-2H2,(H3,5,6,8).
What are the key properties of (2-hydroxy-3-sulfanylpropyl)urea?
(2-hydroxy-3-sulfanylpropyl)urea has a molecular weight of 150.20 g/mol, XLogP of -1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-sulfanylpropyl)urea is sourced from PubChem (CID 151864003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).