tetradecan-2-ylthiourea

C15H32N2S — CID 21132755

IUPACtetradecan-2-ylthiourea
SMILESCCCCCCCCCCCCC(C)NC(N)=S
InChIInChI=1S/C15H32N2S/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)17-15(16)18/h14H,3-13H2,1-2H3,(H3,16,17,18)
InChIKeyVSRDRDIIKJTPMW-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.52
Rot. Bonds12

About tetradecan-2-ylthiourea

tetradecan-2-ylthiourea (PubChem CID 21132755) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is tetradecan-2-ylthiourea.

Molecular Properties

Compound Nametetradecan-2-ylthiourea
PubChem CID21132755
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Nametetradecan-2-ylthiourea
SMILESCCCCCCCCCCCCC(C)NC(N)=S
InChIInChI=1S/C15H32N2S/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)17-15(16)18/h14H,3-13H2,1-2H3,(H3,16,17,18)
InChIKeyVSRDRDIIKJTPMW-UHFFFAOYSA-N
XLogP4.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tetradecan-2-ylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-octan-2-ylthiourea
CID 61480356
N-dodecan-2-ylpropanamide
CID 174988669
sodium N-heptan-2-ylcarbamodithioate
CID 23720858
2-methylicosanethioamide
CID 23451986
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-hexadecan-2-ylhydroxylamine
CID 54390562
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
1-[(2S)-but-3-en-2-yl]-3-[[(2S)-tridecan-2-yl]carbamothioylamino]thiourea
CID 98132830
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
1-butyl-3-heptan-2-ylthiourea
CID 19650957
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842

Frequently Asked Questions

What is the IUPAC name of tetradecan-2-ylthiourea?
The IUPAC name of tetradecan-2-ylthiourea (CID 21132755) is tetradecan-2-ylthiourea.
What is the SMILES notation for tetradecan-2-ylthiourea?
The canonical SMILES for tetradecan-2-ylthiourea is CCCCCCCCCCCCC(C)NC(N)=S.
What is the InChIKey of tetradecan-2-ylthiourea?
The InChIKey is VSRDRDIIKJTPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)17-15(16)18/h14H,3-13H2,1-2H3,(H3,16,17,18).
What are the key properties of tetradecan-2-ylthiourea?
tetradecan-2-ylthiourea has a molecular weight of 272.50 g/mol, XLogP of 4.52, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecan-2-ylthiourea is sourced from PubChem (CID 21132755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).