1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea

C11H14F2N2OS2 — CID 8615049

IUPAC1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea
SMILESC[C@H](O)CNC(=S)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C11H14F2N2OS2/c1-7(16)6-14-11(17)15-8-2-4-9(5-3-8)18-10(12)13/h2-5,7,10,16H,6H2,1H3,(H2,14,15,17)/t7-/m0/s1
InChIKeyWGFLHFZHPCKPJY-ZETCQYMHSA-N
MW292.38 g/mol
LogP2.67
Rot. Bonds5

About 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea

1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea (PubChem CID 8615049) has the molecular formula C11H14F2N2OS2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea
PubChem CID8615049
Molecular FormulaC11H14F2N2OS2
Molecular Weight292.38 g/mol
Exact Mass292.05
IUPAC Name1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea
SMILESC[C@H](O)CNC(=S)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C11H14F2N2OS2/c1-7(16)6-14-11(17)15-8-2-4-9(5-3-8)18-10(12)13/h2-5,7,10,16H,6H2,1H3,(H2,14,15,17)/t7-/m0/s1
InChIKeyWGFLHFZHPCKPJY-ZETCQYMHSA-N
XLogP2.67
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Hydroxypropyl)-N'-phenylthiourea
CID 2759335
1-Butyl-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
CID 2356658
1-[4-(Difluoromethylsulfanyl)phenyl]-3-(4-hydroxycyclohexyl)thiourea
CID 2377835
N-[4-(difluoromethylsulfanyl)phenyl]-2,6-dimethylmorpholine-4-carbothioamide
CID 4084703
N-(3-hydroxypropyl)-N'-[3-(methylsulfanyl)phenyl]thiourea
CID 2731279
1-Cyclohexyl-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
CID 2371608
1-Cyclopentyl-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
CID 2373414
N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carbothioamide
CID 3913511
N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carbothioamide
CID 2406176
1-(4-Difluoromethylsulfanyl-phenyl)-3-(1,2,2-trimethyl-propyl)-thiourea
CID 5062393
1-(3-Fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-3-methylbutyl)urea
CID 71991859
1-[4-(Difluoromethylsulfanyl)phenyl]-3-prop-2-enylthiourea
CID 5120011

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea?
The IUPAC name of 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea (CID 8615049) is 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea.
What is the SMILES notation for 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea?
The canonical SMILES for 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea is C[C@H](O)CNC(=S)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea?
The InChIKey is WGFLHFZHPCKPJY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14F2N2OS2/c1-7(16)6-14-11(17)15-8-2-4-9(5-3-8)18-10(12)13/h2-5,7,10,16H,6H2,1H3,(H2,14,15,17)/t7-/m0/s1.
What are the key properties of 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea?
1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea has a molecular weight of 292.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-hydroxypropyl]thiourea is sourced from PubChem (CID 8615049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).