1-cyclopropyl-3-methylthiourea

C5H10N2S — CID 19650396

IUPAC1-cyclopropyl-3-methylthiourea
SMILESCNC(=S)NC1CC1
InChIInChI=1S/C5H10N2S/c1-6-5(8)7-4-2-3-4/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyGEDKEHNTDWYCGQ-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.24
Rot. Bonds1

About 1-cyclopropyl-3-methylthiourea

1-cyclopropyl-3-methylthiourea (PubChem CID 19650396) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-methylthiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-methylthiourea
PubChem CID19650396
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-cyclopropyl-3-methylthiourea
SMILESCNC(=S)NC1CC1
InChIInChI=1S/C5H10N2S/c1-6-5(8)7-4-2-3-4/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyGEDKEHNTDWYCGQ-UHFFFAOYSA-N
XLogP0.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.24
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-cyclopropyl-3-methylthiourea?
The IUPAC name of 1-cyclopropyl-3-methylthiourea (CID 19650396) is 1-cyclopropyl-3-methylthiourea.
What is the SMILES notation for 1-cyclopropyl-3-methylthiourea?
The canonical SMILES for 1-cyclopropyl-3-methylthiourea is CNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-methylthiourea?
The InChIKey is GEDKEHNTDWYCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-6-5(8)7-4-2-3-4/h4H,2-3H2,1H3,(H2,6,7,8).
What are the key properties of 1-cyclopropyl-3-methylthiourea?
1-cyclopropyl-3-methylthiourea has a molecular weight of 130.22 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methylthiourea is sourced from PubChem (CID 19650396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).