1-(dicyclopropylmethyl)-1-propylthiourea

C11H20N2S — CID 18967796

IUPAC1-(dicyclopropylmethyl)-1-propylthiourea
SMILESCCCN(C(N)=S)C(C1CC1)C1CC1
InChIInChI=1S/C11H20N2S/c1-2-7-13(11(12)14)10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3,(H2,12,14)
InChIKeyWAJGFMYEKKXNMB-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.13
Rot. Bonds5

About 1-(dicyclopropylmethyl)-1-propylthiourea

1-(dicyclopropylmethyl)-1-propylthiourea (PubChem CID 18967796) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-1-propylthiourea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-1-propylthiourea
PubChem CID18967796
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(dicyclopropylmethyl)-1-propylthiourea
SMILESCCCN(C(N)=S)C(C1CC1)C1CC1
InChIInChI=1S/C11H20N2S/c1-2-7-13(11(12)14)10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3,(H2,12,14)
InChIKeyWAJGFMYEKKXNMB-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-(dicyclopropylmethyl)-1-propylthiourea?
The IUPAC name of 1-(dicyclopropylmethyl)-1-propylthiourea (CID 18967796) is 1-(dicyclopropylmethyl)-1-propylthiourea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-1-propylthiourea?
The canonical SMILES for 1-(dicyclopropylmethyl)-1-propylthiourea is CCCN(C(N)=S)C(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-1-propylthiourea?
The InChIKey is WAJGFMYEKKXNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-7-13(11(12)14)10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3,(H2,12,14).
What are the key properties of 1-(dicyclopropylmethyl)-1-propylthiourea?
1-(dicyclopropylmethyl)-1-propylthiourea has a molecular weight of 212.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-1-propylthiourea is sourced from PubChem (CID 18967796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).