2-hydroxypropylthiourea

C4H10N2OS — CID 54266037

IUPAC2-hydroxypropylthiourea
SMILESCC(O)CNC(N)=S
InChIInChI=1S/C4H10N2OS/c1-3(7)2-6-4(5)8/h3,7H,2H2,1H3,(H3,5,6,8)
InChIKeyRGVPORUDLKSYDM-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.80
Rot. Bonds2

About 2-hydroxypropylthiourea

2-hydroxypropylthiourea (PubChem CID 54266037) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-hydroxypropylthiourea.

Molecular Properties

Compound Name2-hydroxypropylthiourea
PubChem CID54266037
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name2-hydroxypropylthiourea
SMILESCC(O)CNC(N)=S
InChIInChI=1S/C4H10N2OS/c1-3(7)2-6-4(5)8/h3,7H,2H2,1H3,(H3,5,6,8)
InChIKeyRGVPORUDLKSYDM-UHFFFAOYSA-N
XLogP-0.80
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.80
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 2-hydroxypropylthiourea?
The IUPAC name of 2-hydroxypropylthiourea (CID 54266037) is 2-hydroxypropylthiourea.
What is the SMILES notation for 2-hydroxypropylthiourea?
The canonical SMILES for 2-hydroxypropylthiourea is CC(O)CNC(N)=S.
What is the InChIKey of 2-hydroxypropylthiourea?
The InChIKey is RGVPORUDLKSYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-3(7)2-6-4(5)8/h3,7H,2H2,1H3,(H3,5,6,8).
What are the key properties of 2-hydroxypropylthiourea?
2-hydroxypropylthiourea has a molecular weight of 134.20 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropylthiourea is sourced from PubChem (CID 54266037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).