1-(1-hydroxyethyl)-3-methylthiourea

C4H10N2OS — CID 87754189

IUPAC1-(1-hydroxyethyl)-3-methylthiourea
SMILESCNC(=S)NC(C)O
InChIInChI=1S/C4H10N2OS/c1-3(7)6-4(8)5-2/h3,7H,1-2H3,(H2,5,6,8)
InChIKeySIYPLTPNBBKJHN-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.58
Rot. Bonds1

About 1-(1-hydroxyethyl)-3-methylthiourea

1-(1-hydroxyethyl)-3-methylthiourea (PubChem CID 87754189) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(1-hydroxyethyl)-3-methylthiourea
PubChem CID87754189
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name1-(1-hydroxyethyl)-3-methylthiourea
SMILESCNC(=S)NC(C)O
InChIInChI=1S/C4H10N2OS/c1-3(7)6-4(8)5-2/h3,7H,1-2H3,(H2,5,6,8)
InChIKeySIYPLTPNBBKJHN-UHFFFAOYSA-N
XLogP-0.58
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)-3-methylthiourea?
The IUPAC name of 1-(1-hydroxyethyl)-3-methylthiourea (CID 87754189) is 1-(1-hydroxyethyl)-3-methylthiourea.
What is the SMILES notation for 1-(1-hydroxyethyl)-3-methylthiourea?
The canonical SMILES for 1-(1-hydroxyethyl)-3-methylthiourea is CNC(=S)NC(C)O.
What is the InChIKey of 1-(1-hydroxyethyl)-3-methylthiourea?
The InChIKey is SIYPLTPNBBKJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-3(7)6-4(8)5-2/h3,7H,1-2H3,(H2,5,6,8).
What are the key properties of 1-(1-hydroxyethyl)-3-methylthiourea?
1-(1-hydroxyethyl)-3-methylthiourea has a molecular weight of 134.20 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)-3-methylthiourea is sourced from PubChem (CID 87754189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).