1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea

C10H13ClN2OS — CID 2171247

IUPAC1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea
SMILESCc1cc(Cl)ccc1NC(=S)NCCO
InChIInChI=1S/C10H13ClN2OS/c1-7-6-8(11)2-3-9(7)13-10(15)12-4-5-14/h2-3,6,14H,4-5H2,1H3,(H2,12,13,15)
InChIKeyDPAYVMJWTCCUPF-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.93
Rot. Bonds3

About 1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea

1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea (PubChem CID 2171247) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea
PubChem CID2171247
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea
SMILESCc1cc(Cl)ccc1NC(=S)NCCO
InChIInChI=1S/C10H13ClN2OS/c1-7-6-8(11)2-3-9(7)13-10(15)12-4-5-14/h2-3,6,14H,4-5H2,1H3,(H2,12,13,15)
InChIKeyDPAYVMJWTCCUPF-UHFFFAOYSA-N
XLogP1.93
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.93
H-Bond Donors ≤ 53
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-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea (CID 2171247) is 1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea is Cc1cc(Cl)ccc1NC(=S)NCCO.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea?
The InChIKey is DPAYVMJWTCCUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-7-6-8(11)2-3-9(7)13-10(15)12-4-5-14/h2-3,6,14H,4-5H2,1H3,(H2,12,13,15).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea?
1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea has a molecular weight of 244.75 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-(2-hydroxyethyl)thiourea is sourced from PubChem (CID 2171247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).