1-cyclopropyl-3-(2,4-dichloroanilino)thiourea

C10H11Cl2N3S — CID 8769459

IUPAC1-cyclopropyl-3-(2,4-dichloroanilino)thiourea
SMILESS=C(NNc1ccc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C10H11Cl2N3S/c11-6-1-4-9(8(12)5-6)14-15-10(16)13-7-2-3-7/h1,4-5,7,14H,2-3H2,(H2,13,15,16)
InChIKeyJRGLEKHLZWIDPP-UHFFFAOYSA-N
MW276.19 g/mol
LogP2.95
Rot. Bonds3

About 1-cyclopropyl-3-(2,4-dichloroanilino)thiourea

1-cyclopropyl-3-(2,4-dichloroanilino)thiourea (PubChem CID 8769459) has the molecular formula C10H11Cl2N3S and a molecular weight of 276.19 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,4-dichloroanilino)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,4-dichloroanilino)thiourea
PubChem CID8769459
Molecular FormulaC10H11Cl2N3S
Molecular Weight276.19 g/mol
Exact Mass275.01
IUPAC Name1-cyclopropyl-3-(2,4-dichloroanilino)thiourea
SMILESS=C(NNc1ccc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C10H11Cl2N3S/c11-6-1-4-9(8(12)5-6)14-15-10(16)13-7-2-3-7/h1,4-5,7,14H,2-3H2,(H2,13,15,16)
InChIKeyJRGLEKHLZWIDPP-UHFFFAOYSA-N
XLogP2.95
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,4-dichloroanilino)thiourea?
The IUPAC name of 1-cyclopropyl-3-(2,4-dichloroanilino)thiourea (CID 8769459) is 1-cyclopropyl-3-(2,4-dichloroanilino)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(2,4-dichloroanilino)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(2,4-dichloroanilino)thiourea is S=C(NNc1ccc(Cl)cc1Cl)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,4-dichloroanilino)thiourea?
The InChIKey is JRGLEKHLZWIDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3S/c11-6-1-4-9(8(12)5-6)14-15-10(16)13-7-2-3-7/h1,4-5,7,14H,2-3H2,(H2,13,15,16).
What are the key properties of 1-cyclopropyl-3-(2,4-dichloroanilino)thiourea?
1-cyclopropyl-3-(2,4-dichloroanilino)thiourea has a molecular weight of 276.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,4-dichloroanilino)thiourea is sourced from PubChem (CID 8769459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).