1-amino-3-decylthiourea

C11H25N3S — CID 4614128

IUPAC1-amino-3-decylthiourea
SMILESCCCCCCCCCCNC(=S)NN
InChIInChI=1S/C11H25N3S/c1-2-3-4-5-6-7-8-9-10-13-11(15)14-12/h2-10,12H2,1H3,(H2,13,14,15)
InChIKeySKSGVAPKSWHJHN-UHFFFAOYSA-N
MW231.41 g/mol
LogP2.46
Rot. Bonds9

About 1-amino-3-decylthiourea

1-amino-3-decylthiourea (PubChem CID 4614128) has the molecular formula C11H25N3S and a molecular weight of 231.41 g/mol. Its IUPAC name is 1-amino-3-decylthiourea.

Molecular Properties

Compound Name1-amino-3-decylthiourea
PubChem CID4614128
Molecular FormulaC11H25N3S
Molecular Weight231.41 g/mol
Exact Mass231.18
IUPAC Name1-amino-3-decylthiourea
SMILESCCCCCCCCCCNC(=S)NN
InChIInChI=1S/C11H25N3S/c1-2-3-4-5-6-7-8-9-10-13-11(15)14-12/h2-10,12H2,1H3,(H2,13,14,15)
InChIKeySKSGVAPKSWHJHN-UHFFFAOYSA-N
XLogP2.46
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.41
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-heptylthiourea
CID 19650868
1-hexyl-3-(hexylcarbamothioylamino)thiourea
CID 71356977
1-dodecyl-3-methylthiourea
CID 5151745
1-decyl-3-(2-hydroxyethyl)thiourea
CID 3473158
1-(2-aminoethyl)-3-pentylthiourea
CID 87697549
1-(dimethylamino)-3-hexylthiourea
CID 4066671
1-decyl-3-propan-2-ylthiourea
CID 17268723
(pentylcarbamothioylamino)urea
CID 3705847
1-hexyl-3-(methylideneamino)thiourea
CID 142046473
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
N,N'-didodecylheptanedithioamide
CID 23451988
pentylthiourea;hydrochloride
CID 87769181

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-decylthiourea?
The IUPAC name of 1-amino-3-decylthiourea (CID 4614128) is 1-amino-3-decylthiourea.
What is the SMILES notation for 1-amino-3-decylthiourea?
The canonical SMILES for 1-amino-3-decylthiourea is CCCCCCCCCCNC(=S)NN.
What is the InChIKey of 1-amino-3-decylthiourea?
The InChIKey is SKSGVAPKSWHJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3S/c1-2-3-4-5-6-7-8-9-10-13-11(15)14-12/h2-10,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-decylthiourea?
1-amino-3-decylthiourea has a molecular weight of 231.41 g/mol, XLogP of 2.46, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-decylthiourea is sourced from PubChem (CID 4614128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).