1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea

C7H16N2OS — CID 5061824

IUPAC1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NCCO
InChIInChI=1S/C7H16N2OS/c1-6(2)5-9-7(11)8-3-4-10/h6,10H,3-5H2,1-2H3,(H2,8,9,11)
InChIKeyMVLKQOMVRZFOTL-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.10
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea

1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea (PubChem CID 5061824) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
PubChem CID5061824
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NCCO
InChIInChI=1S/C7H16N2OS/c1-6(2)5-9-7(11)8-3-4-10/h6,10H,3-5H2,1-2H3,(H2,8,9,11)
InChIKeyMVLKQOMVRZFOTL-UHFFFAOYSA-N
XLogP0.10
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
1-(2-hydroxyethyl)-3-propylthiourea
CID 2824653
1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea
CID 115629343
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea
CID 103603991
N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide
CID 115598342
N-methyl-2-(2-methylpropylcarbamothioylamino)acetamide
CID 115571220
1-[(2S)-2-hydroxypropyl]-3-propylthiourea
CID 131211878
1-decyl-3-(2-hydroxyethyl)thiourea
CID 3473158
1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
CID 115618766
1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea
CID 115662944
1-(2-methylpropyl)-3-(2,2,3,3-tetrafluoropropyl)thiourea
CID 103520307
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19649703

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea (CID 5061824) is 1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea?
The InChIKey is MVLKQOMVRZFOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-6(2)5-9-7(11)8-3-4-10/h6,10H,3-5H2,1-2H3,(H2,8,9,11).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea?
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea has a molecular weight of 176.28 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 5061824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).