12-hydroxydodecylthiourea

C13H28N2OS — CID 121377187

IUPAC12-hydroxydodecylthiourea
SMILESNC(=S)NCCCCCCCCCCCCO
InChIInChI=1S/C13H28N2OS/c14-13(17)15-11-9-7-5-3-1-2-4-6-8-10-12-16/h16H,1-12H2,(H3,14,15,17)
InChIKeyIJVFHELWUVJFHM-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.71
Rot. Bonds12

About 12-hydroxydodecylthiourea

12-hydroxydodecylthiourea (PubChem CID 121377187) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 12-hydroxydodecylthiourea.

Molecular Properties

Compound Name12-hydroxydodecylthiourea
PubChem CID121377187
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name12-hydroxydodecylthiourea
SMILESNC(=S)NCCCCCCCCCCCCO
InChIInChI=1S/C13H28N2OS/c14-13(17)15-11-9-7-5-3-1-2-4-6-8-10-12-16/h16H,1-12H2,(H3,14,15,17)
InChIKeyIJVFHELWUVJFHM-UHFFFAOYSA-N
XLogP2.71
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(carbamothioylamino)pentylcarbamic acid
CID 23442541
34-hydroxytetratriacontylcarbamodithioic acid
CID 87691023
38-hydroxyoctatriacontylcarbamodithioic acid
CID 87690726
17-hydroxyheptadecylcarbamodithioic acid
CID 87691134
12-hydroxydodecylurea
CID 57265418
pentylthiourea;hydrochloride
CID 87769181
3-[3-(carbamothioylamino)propoxy]propylthiourea
CID 88722493
9-hydrazinylnonan-1-ol
CID 155127931
4-methylsulfinylbutylthiourea
CID 72679285
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
2-(6-hydroxyhexylamino)ethylurea
CID 107703572
(4-hydrazinyl-4-hydroxybutyl)thiourea
CID 141122054

Frequently Asked Questions

What is the IUPAC name of 12-hydroxydodecylthiourea?
The IUPAC name of 12-hydroxydodecylthiourea (CID 121377187) is 12-hydroxydodecylthiourea.
What is the SMILES notation for 12-hydroxydodecylthiourea?
The canonical SMILES for 12-hydroxydodecylthiourea is NC(=S)NCCCCCCCCCCCCO.
What is the InChIKey of 12-hydroxydodecylthiourea?
The InChIKey is IJVFHELWUVJFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c14-13(17)15-11-9-7-5-3-1-2-4-6-8-10-12-16/h16H,1-12H2,(H3,14,15,17).
What are the key properties of 12-hydroxydodecylthiourea?
12-hydroxydodecylthiourea has a molecular weight of 260.45 g/mol, XLogP of 2.71, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxydodecylthiourea is sourced from PubChem (CID 121377187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).