3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea

C15H15ClN2OS — CID 8624940

IUPAC3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea
SMILESCc1c(Cl)cccc1NC(=S)N(C)c1ccc(O)cc1
InChIInChI=1S/C15H15ClN2OS/c1-10-13(16)4-3-5-14(10)17-15(20)18(2)11-6-8-12(19)9-7-11/h3-9,19H,1-2H3,(H,17,20)
InChIKeyILGKWZVQALLLNC-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.19
Rot. Bonds2

About 3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea

3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea (PubChem CID 8624940) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea
PubChem CID8624940
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea
SMILESCc1c(Cl)cccc1NC(=S)N(C)c1ccc(O)cc1
InChIInChI=1S/C15H15ClN2OS/c1-10-13(16)4-3-5-14(10)17-15(20)18(2)11-6-8-12(19)9-7-11/h3-9,19H,1-2H3,(H,17,20)
InChIKeyILGKWZVQALLLNC-UHFFFAOYSA-N
XLogP4.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.19
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

3-(3-chloro-2-methylphenyl)-1,1-dipropylthiourea
CID 17379704
1,1-dibutyl-3-(3-chloro-2-methylphenyl)thiourea
CID 19653149
3-(3-chloro-2-methylphenyl)-1,1-bis(prop-2-enyl)thiourea
CID 19653077
1-(3-chloro-2-methylphenyl)-3-methylthiourea
CID 976431
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
methyl N-(3-chloro-2-methylphenyl)carbamodithioate
CID 12754788
1-(3-chloro-2-methylphenyl)-3-[2-(dimethylamino)ethyl]thiourea
CID 8668575
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
3-(3-chloro-2-methylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methylthiourea
CID 9053108
(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(4-hydroxyphenyl)prop-2-enamide
CID 7515839
3-(3-chloro-2-methylphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-methylthiourea
CID 8786787
2-N-(3-chloro-2-methylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141236

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea (CID 8624940) is 3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea is Cc1c(Cl)cccc1NC(=S)N(C)c1ccc(O)cc1.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea?
The InChIKey is ILGKWZVQALLLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-10-13(16)4-3-5-14(10)17-15(20)18(2)11-6-8-12(19)9-7-11/h3-9,19H,1-2H3,(H,17,20).
What are the key properties of 3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea?
3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea has a molecular weight of 306.82 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-1-methylthiourea is sourced from PubChem (CID 8624940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).