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

C13H28N2OS — CID 3473158

IUPAC1-decyl-3-(2-hydroxyethyl)thiourea
SMILESCCCCCCCCCCNC(=S)NCCO
InChIInChI=1S/C13H28N2OS/c1-2-3-4-5-6-7-8-9-10-14-13(17)15-11-12-16/h16H,2-12H2,1H3,(H2,14,15,17)
InChIKeyHNMJUSWQMKEQEV-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.58
Rot. Bonds11

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

1-decyl-3-(2-hydroxyethyl)thiourea (PubChem CID 3473158) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 1-decyl-3-(2-hydroxyethyl)thiourea.

Molecular Properties

Compound Name1-decyl-3-(2-hydroxyethyl)thiourea
PubChem CID3473158
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name1-decyl-3-(2-hydroxyethyl)thiourea
SMILESCCCCCCCCCCNC(=S)NCCO
InChIInChI=1S/C13H28N2OS/c1-2-3-4-5-6-7-8-9-10-14-13(17)15-11-12-16/h16H,2-12H2,1H3,(H2,14,15,17)
InChIKeyHNMJUSWQMKEQEV-UHFFFAOYSA-N
XLogP2.58
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.58
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

1-butyl-3-heptylthiourea
CID 19650868
1-butyl-3-(3-hydroxypropyl)thiourea
CID 127063787
1-hexyl-3-(hexylcarbamothioylamino)thiourea
CID 71356977
1-(2-hydroxyethyl)-3-propylthiourea
CID 2824653
1-dodecyl-3-methylthiourea
CID 5151745
1-amino-3-decylthiourea
CID 4614128
1-(2-aminoethyl)-3-pentylthiourea
CID 87697549
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
1-oct-7-enyl-3-octylthiourea
CID 23466616
1-decyl-3-propan-2-ylthiourea
CID 17268723
1-(dimethylamino)-3-hexylthiourea
CID 4066671
1-hexyl-3-(methylideneamino)thiourea
CID 142046473

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-(2-hydroxyethyl)thiourea?
The IUPAC name of 1-decyl-3-(2-hydroxyethyl)thiourea (CID 3473158) is 1-decyl-3-(2-hydroxyethyl)thiourea.
What is the SMILES notation for 1-decyl-3-(2-hydroxyethyl)thiourea?
The canonical SMILES for 1-decyl-3-(2-hydroxyethyl)thiourea is CCCCCCCCCCNC(=S)NCCO.
What is the InChIKey of 1-decyl-3-(2-hydroxyethyl)thiourea?
The InChIKey is HNMJUSWQMKEQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-2-3-4-5-6-7-8-9-10-14-13(17)15-11-12-16/h16H,2-12H2,1H3,(H2,14,15,17).
What are the key properties of 1-decyl-3-(2-hydroxyethyl)thiourea?
1-decyl-3-(2-hydroxyethyl)thiourea has a molecular weight of 260.45 g/mol, XLogP of 2.58, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-(2-hydroxyethyl)thiourea is sourced from PubChem (CID 3473158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).