1-[(2S)-2-hydroxypropyl]-3-propylthiourea

C7H16N2OS — CID 131211878

IUPAC1-[(2S)-2-hydroxypropyl]-3-propylthiourea
SMILESCCCNC(=S)NC[C@H](C)O
InChIInChI=1S/C7H16N2OS/c1-3-4-8-7(11)9-5-6(2)10/h6,10H,3-5H2,1-2H3,(H2,8,9,11)/t6-/m0/s1
InChIKeyAZUNRLFTQDTGRA-LURJTMIESA-N
MW176.28 g/mol
LogP0.24
Rot. Bonds4

About 1-[(2S)-2-hydroxypropyl]-3-propylthiourea

1-[(2S)-2-hydroxypropyl]-3-propylthiourea (PubChem CID 131211878) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxypropyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxypropyl]-3-propylthiourea
PubChem CID131211878
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name1-[(2S)-2-hydroxypropyl]-3-propylthiourea
SMILESCCCNC(=S)NC[C@H](C)O
InChIInChI=1S/C7H16N2OS/c1-3-4-8-7(11)9-5-6(2)10/h6,10H,3-5H2,1-2H3,(H2,8,9,11)/t6-/m0/s1
InChIKeyAZUNRLFTQDTGRA-LURJTMIESA-N
XLogP0.24
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 ≤ 50.24
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

1-(3-methoxy-2-methylpropyl)-3-propylthiourea
CID 115593935
1-(2-hydroxypropyl)-3-propylurea
CID 12876542
1-(2-hydroxyethyl)-3-propylthiourea
CID 2824653
N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide
CID 115598342
1-[(2R)-2-hydroxypropyl]-3-(1-methylcyclopropyl)thiourea
CID 130636579
1-(3-methylsulfinylbutyl)-3-propylthiourea
CID 116510232
1-pentan-3-yl-3-propylthiourea
CID 19652880
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824
2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
CID 106931868
1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615053
1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
CID 131160107
1-propyl-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 17276889

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxypropyl]-3-propylthiourea?
The IUPAC name of 1-[(2S)-2-hydroxypropyl]-3-propylthiourea (CID 131211878) is 1-[(2S)-2-hydroxypropyl]-3-propylthiourea.
What is the SMILES notation for 1-[(2S)-2-hydroxypropyl]-3-propylthiourea?
The canonical SMILES for 1-[(2S)-2-hydroxypropyl]-3-propylthiourea is CCCNC(=S)NC[C@H](C)O.
What is the InChIKey of 1-[(2S)-2-hydroxypropyl]-3-propylthiourea?
The InChIKey is AZUNRLFTQDTGRA-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2OS/c1-3-4-8-7(11)9-5-6(2)10/h6,10H,3-5H2,1-2H3,(H2,8,9,11)/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxypropyl]-3-propylthiourea?
1-[(2S)-2-hydroxypropyl]-3-propylthiourea has a molecular weight of 176.28 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxypropyl]-3-propylthiourea is sourced from PubChem (CID 131211878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).