1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea

C10H13Cl2N3OS — CID 154150210

IUPAC1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea
SMILESCC(O)CNC(=S)NNc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2N3OS/c1-6(16)5-13-10(17)15-14-9-7(11)3-2-4-8(9)12/h2-4,6,14,16H,5H2,1H3,(H2,13,15,17)
InChIKeyDNHNJIKYTXSWFO-UHFFFAOYSA-N
MW294.21 g/mol
LogP2.17
Rot. Bonds4

About 1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea

1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea (PubChem CID 154150210) has the molecular formula C10H13Cl2N3OS and a molecular weight of 294.21 g/mol. Its IUPAC name is 1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea.

Molecular Properties

Compound Name1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea
PubChem CID154150210
Molecular FormulaC10H13Cl2N3OS
Molecular Weight294.21 g/mol
Exact Mass293.02
IUPAC Name1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea
SMILESCC(O)CNC(=S)NNc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2N3OS/c1-6(16)5-13-10(17)15-14-9-7(11)3-2-4-8(9)12/h2-4,6,14,16H,5H2,1H3,(H2,13,15,17)
InChIKeyDNHNJIKYTXSWFO-UHFFFAOYSA-N
XLogP2.17
TPSA56.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea?
The IUPAC name of 1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea (CID 154150210) is 1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea.
What is the SMILES notation for 1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea?
The canonical SMILES for 1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea is CC(O)CNC(=S)NNc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea?
The InChIKey is DNHNJIKYTXSWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3OS/c1-6(16)5-13-10(17)15-14-9-7(11)3-2-4-8(9)12/h2-4,6,14,16H,5H2,1H3,(H2,13,15,17).
What are the key properties of 1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea?
1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea has a molecular weight of 294.21 g/mol, XLogP of 2.17, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloroanilino)-3-(2-hydroxypropyl)thiourea is sourced from PubChem (CID 154150210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).