1-(4-methyloxan-4-yl)-3-propylthiourea

C10H20N2OS — CID 116510244

IUPAC1-(4-methyloxan-4-yl)-3-propylthiourea
SMILESCCCNC(=S)NC1(C)CCOCC1
InChIInChI=1S/C10H20N2OS/c1-3-6-11-9(14)12-10(2)4-7-13-8-5-10/h3-8H2,1-2H3,(H2,11,12,14)
InChIKeyKTUIOJIOINXOCK-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.43
Rot. Bonds3

About 1-(4-methyloxan-4-yl)-3-propylthiourea

1-(4-methyloxan-4-yl)-3-propylthiourea (PubChem CID 116510244) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(4-methyloxan-4-yl)-3-propylthiourea.

Molecular Properties

Compound Name1-(4-methyloxan-4-yl)-3-propylthiourea
PubChem CID116510244
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(4-methyloxan-4-yl)-3-propylthiourea
SMILESCCCNC(=S)NC1(C)CCOCC1
InChIInChI=1S/C10H20N2OS/c1-3-6-11-9(14)12-10(2)4-7-13-8-5-10/h3-8H2,1-2H3,(H2,11,12,14)
InChIKeyKTUIOJIOINXOCK-UHFFFAOYSA-N
XLogP1.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-methyloxan-4-yl)-3-propylthiourea?
The IUPAC name of 1-(4-methyloxan-4-yl)-3-propylthiourea (CID 116510244) is 1-(4-methyloxan-4-yl)-3-propylthiourea.
What is the SMILES notation for 1-(4-methyloxan-4-yl)-3-propylthiourea?
The canonical SMILES for 1-(4-methyloxan-4-yl)-3-propylthiourea is CCCNC(=S)NC1(C)CCOCC1.
What is the InChIKey of 1-(4-methyloxan-4-yl)-3-propylthiourea?
The InChIKey is KTUIOJIOINXOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-6-11-9(14)12-10(2)4-7-13-8-5-10/h3-8H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-(4-methyloxan-4-yl)-3-propylthiourea?
1-(4-methyloxan-4-yl)-3-propylthiourea has a molecular weight of 216.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyloxan-4-yl)-3-propylthiourea is sourced from PubChem (CID 116510244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).