1-ethyl-1-naphthalen-1-ylthiourea

C13H14N2S — CID 3032463

IUPAC1-ethyl-1-naphthalen-1-ylthiourea
SMILESCCN(C(N)=S)c1cccc2ccccc12
InChIInChI=1S/C13H14N2S/c1-2-15(13(14)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,14,16)
InChIKeyKIJJAHDWPAWNGH-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.91
Rot. Bonds2

About 1-ethyl-1-naphthalen-1-ylthiourea

1-ethyl-1-naphthalen-1-ylthiourea (PubChem CID 3032463) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-ethyl-1-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-ethyl-1-naphthalen-1-ylthiourea
PubChem CID3032463
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name1-ethyl-1-naphthalen-1-ylthiourea
SMILESCCN(C(N)=S)c1cccc2ccccc12
InChIInChI=1S/C13H14N2S/c1-2-15(13(14)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,14,16)
InChIKeyKIJJAHDWPAWNGH-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 67043
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CID 16667
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CID 4201092
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CID 914740
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CID 2829258
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CID 3034003
CID 3034003

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-naphthalen-1-ylthiourea?
The IUPAC name of 1-ethyl-1-naphthalen-1-ylthiourea (CID 3032463) is 1-ethyl-1-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-ethyl-1-naphthalen-1-ylthiourea?
The canonical SMILES for 1-ethyl-1-naphthalen-1-ylthiourea is CCN(C(N)=S)c1cccc2ccccc12.
What is the InChIKey of 1-ethyl-1-naphthalen-1-ylthiourea?
The InChIKey is KIJJAHDWPAWNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-15(13(14)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,14,16).
What are the key properties of 1-ethyl-1-naphthalen-1-ylthiourea?
1-ethyl-1-naphthalen-1-ylthiourea has a molecular weight of 230.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-naphthalen-1-ylthiourea is sourced from PubChem (CID 3032463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).