6-hydroxy-1-phenyl-1,3-diazinane-2-thione

C10H12N2OS — CID 3136579

IUPAC6-hydroxy-1-phenyl-1,3-diazinane-2-thione
SMILESOC1CCNC(=S)N1c1ccccc1
InChIInChI=1S/C10H12N2OS/c13-9-6-7-11-10(14)12(9)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,14)
InChIKeyLEVDQZLCMRNQIW-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.09
Rot. Bonds1

About 6-hydroxy-1-phenyl-1,3-diazinane-2-thione

6-hydroxy-1-phenyl-1,3-diazinane-2-thione (PubChem CID 3136579) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 6-hydroxy-1-phenyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name6-hydroxy-1-phenyl-1,3-diazinane-2-thione
PubChem CID3136579
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name6-hydroxy-1-phenyl-1,3-diazinane-2-thione
SMILESOC1CCNC(=S)N1c1ccccc1
InChIInChI=1S/C10H12N2OS/c13-9-6-7-11-10(14)12(9)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,14)
InChIKeyLEVDQZLCMRNQIW-UHFFFAOYSA-N
XLogP1.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Thiourea, N-(2-(ethenyloxy)ethyl)-N'-phenyl-
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1-(2-Hydroxyethyl)-3-phenyl-2-thiourea
CID 1549562
2-{4-[(Phenylamino)thioxomethyl]piperazinyl}ethan-1-ol
CID 785529
1-Ethyl-3-(4-piperidin-1-ylphenyl)thiourea
CID 2377842
4,5-Dihydroxy-1-phenylimidazolidine-2-thione
CID 2771896
4-[2-(2-hydroxyethoxy)ethyl]-N-phenylpiperazine-1-carbothioamide
CID 3119956
N-(2,4-difluorophenyl)morpholine-4-carbothioamide
CID 4604894
3-(2-Methoxyethyl)-1-phenyl-1-propan-2-ylthiourea
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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-phenyl-1,3-diazinane-2-thione?
The IUPAC name of 6-hydroxy-1-phenyl-1,3-diazinane-2-thione (CID 3136579) is 6-hydroxy-1-phenyl-1,3-diazinane-2-thione.
What is the SMILES notation for 6-hydroxy-1-phenyl-1,3-diazinane-2-thione?
The canonical SMILES for 6-hydroxy-1-phenyl-1,3-diazinane-2-thione is OC1CCNC(=S)N1c1ccccc1.
What is the InChIKey of 6-hydroxy-1-phenyl-1,3-diazinane-2-thione?
The InChIKey is LEVDQZLCMRNQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-9-6-7-11-10(14)12(9)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,14).
What are the key properties of 6-hydroxy-1-phenyl-1,3-diazinane-2-thione?
6-hydroxy-1-phenyl-1,3-diazinane-2-thione has a molecular weight of 208.29 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-phenyl-1,3-diazinane-2-thione is sourced from PubChem (CID 3136579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).