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

C19H32N2OS — CID 19651220

IUPAC1-decyl-3-(2-ethoxyphenyl)thiourea
SMILESCCCCCCCCCCNC(=S)Nc1ccccc1OCC
InChIInChI=1S/C19H32N2OS/c1-3-5-6-7-8-9-10-13-16-20-19(23)21-17-14-11-12-15-18(17)22-4-2/h11-12,14-15H,3-10,13,16H2,1-2H3,(H2,20,21,23)
InChIKeySDOGULRMMQVWOH-UHFFFAOYSA-N
MW336.55 g/mol
LogP5.51
Rot. Bonds12

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

1-decyl-3-(2-ethoxyphenyl)thiourea (PubChem CID 19651220) has the molecular formula C19H32N2OS and a molecular weight of 336.55 g/mol. Its IUPAC name is 1-decyl-3-(2-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-decyl-3-(2-ethoxyphenyl)thiourea
PubChem CID19651220
Molecular FormulaC19H32N2OS
Molecular Weight336.55 g/mol
Exact Mass336.22
IUPAC Name1-decyl-3-(2-ethoxyphenyl)thiourea
SMILESCCCCCCCCCCNC(=S)Nc1ccccc1OCC
InChIInChI=1S/C19H32N2OS/c1-3-5-6-7-8-9-10-13-16-20-19(23)21-17-14-11-12-15-18(17)22-4-2/h11-12,14-15H,3-10,13,16H2,1-2H3,(H2,20,21,23)
InChIKeySDOGULRMMQVWOH-UHFFFAOYSA-N
XLogP5.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.55
LogP ≤ 55.51
H-Bond Donors ≤ 52
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-dodecyl-3-(2-ethoxyphenyl)thiourea
CID 19651397
pentyl 2-[(2-ethoxyphenyl)carbamothioylamino]acetate
CID 3736151
1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756038
1-(2-ethylphenyl)-3-nonylthiourea
CID 19651096
1-(2-chlorophenyl)-3-nonylthiourea
CID 19651087
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-ethoxyphenyl)thiourea
CID 100703277
2-ethoxy-N-nonylaniline
CID 43129179
1-[(3,5-dimethylphenyl)methyl]-3-(2-ethoxyphenyl)thiourea
CID 3837590
N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide
CID 19766776
1-[3-(2-ethoxyphenyl)propyl]-3-(2-fluorophenyl)thiourea
CID 100614954
N-(2-ethoxyphenyl)octanamide
CID 4158866
1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652810

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-(2-ethoxyphenyl)thiourea?
The IUPAC name of 1-decyl-3-(2-ethoxyphenyl)thiourea (CID 19651220) is 1-decyl-3-(2-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-decyl-3-(2-ethoxyphenyl)thiourea?
The canonical SMILES for 1-decyl-3-(2-ethoxyphenyl)thiourea is CCCCCCCCCCNC(=S)Nc1ccccc1OCC.
What is the InChIKey of 1-decyl-3-(2-ethoxyphenyl)thiourea?
The InChIKey is SDOGULRMMQVWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2OS/c1-3-5-6-7-8-9-10-13-16-20-19(23)21-17-14-11-12-15-18(17)22-4-2/h11-12,14-15H,3-10,13,16H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-decyl-3-(2-ethoxyphenyl)thiourea?
1-decyl-3-(2-ethoxyphenyl)thiourea has a molecular weight of 336.55 g/mol, XLogP of 5.51, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-(2-ethoxyphenyl)thiourea is sourced from PubChem (CID 19651220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).