1-(cyclopropylmethyl)-3-ethylthiourea

C7H14N2S — CID 2730510

IUPAC1-(cyclopropylmethyl)-3-ethylthiourea
SMILESCCNC(=S)NCC1CC1
InChIInChI=1S/C7H14N2S/c1-2-8-7(10)9-5-6-3-4-6/h6H,2-5H2,1H3,(H2,8,9,10)
InChIKeyIWNFOYILYFRZCM-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.88
Rot. Bonds3

About 1-(cyclopropylmethyl)-3-ethylthiourea

1-(cyclopropylmethyl)-3-ethylthiourea (PubChem CID 2730510) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-ethylthiourea
PubChem CID2730510
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-(cyclopropylmethyl)-3-ethylthiourea
SMILESCCNC(=S)NCC1CC1
InChIInChI=1S/C7H14N2S/c1-2-8-7(10)9-5-6-3-4-6/h6H,2-5H2,1H3,(H2,8,9,10)
InChIKeyIWNFOYILYFRZCM-UHFFFAOYSA-N
XLogP0.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-ethylthiourea?
The IUPAC name of 1-(cyclopropylmethyl)-3-ethylthiourea (CID 2730510) is 1-(cyclopropylmethyl)-3-ethylthiourea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-ethylthiourea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-ethylthiourea is CCNC(=S)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-ethylthiourea?
The InChIKey is IWNFOYILYFRZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-2-8-7(10)9-5-6-3-4-6/h6H,2-5H2,1H3,(H2,8,9,10).
What are the key properties of 1-(cyclopropylmethyl)-3-ethylthiourea?
1-(cyclopropylmethyl)-3-ethylthiourea has a molecular weight of 158.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-ethylthiourea is sourced from PubChem (CID 2730510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).