(4-fluoro-2-methoxy-3-methylphenyl)thiourea

C9H11FN2OS — CID 169357123

IUPAC(4-fluoro-2-methoxy-3-methylphenyl)thiourea
SMILESCOc1c(NC(N)=S)ccc(F)c1C
InChIInChI=1S/C9H11FN2OS/c1-5-6(10)3-4-7(8(5)13-2)12-9(11)14/h3-4H,1-2H3,(H3,11,12,14)
InChIKeyDORAIVYJRJKJHA-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.80
Rot. Bonds2

About (4-fluoro-2-methoxy-3-methylphenyl)thiourea

(4-fluoro-2-methoxy-3-methylphenyl)thiourea (PubChem CID 169357123) has the molecular formula C9H11FN2OS and a molecular weight of 214.26 g/mol. Its IUPAC name is (4-fluoro-2-methoxy-3-methylphenyl)thiourea.

Molecular Properties

Compound Name(4-fluoro-2-methoxy-3-methylphenyl)thiourea
PubChem CID169357123
Molecular FormulaC9H11FN2OS
Molecular Weight214.26 g/mol
Exact Mass214.06
IUPAC Name(4-fluoro-2-methoxy-3-methylphenyl)thiourea
SMILESCOc1c(NC(N)=S)ccc(F)c1C
InChIInChI=1S/C9H11FN2OS/c1-5-6(10)3-4-7(8(5)13-2)12-9(11)14/h3-4H,1-2H3,(H3,11,12,14)
InChIKeyDORAIVYJRJKJHA-UHFFFAOYSA-N
XLogP1.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.80
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

(4-methoxy-2,3-dimethylphenyl)thiourea
CID 169357786
(2,3,4-trimethoxyphenyl)thiourea
CID 18536860
methyl 3-(carbamothioylamino)-6-fluoro-2-methylbenzoate
CID 169359380
(3,5-difluoro-2-methylphenyl)thiourea
CID 169359533
(4-fluoro-2-methylphenyl)thiourea
CID 28888222
(2-ethoxy-3-fluorophenyl)thiourea
CID 169358055
(2-fluoro-5-methoxy-4-methylphenyl)thiourea
CID 169358639
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311
O-ethyl 4-fluoro-3-methoxy-2-methylbenzenecarbothioate
CID 54395730
1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 46924090
N-(2,4-dimethoxy-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 110777877

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methoxy-3-methylphenyl)thiourea?
The IUPAC name of (4-fluoro-2-methoxy-3-methylphenyl)thiourea (CID 169357123) is (4-fluoro-2-methoxy-3-methylphenyl)thiourea.
What is the SMILES notation for (4-fluoro-2-methoxy-3-methylphenyl)thiourea?
The canonical SMILES for (4-fluoro-2-methoxy-3-methylphenyl)thiourea is COc1c(NC(N)=S)ccc(F)c1C.
What is the InChIKey of (4-fluoro-2-methoxy-3-methylphenyl)thiourea?
The InChIKey is DORAIVYJRJKJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c1-5-6(10)3-4-7(8(5)13-2)12-9(11)14/h3-4H,1-2H3,(H3,11,12,14).
What are the key properties of (4-fluoro-2-methoxy-3-methylphenyl)thiourea?
(4-fluoro-2-methoxy-3-methylphenyl)thiourea has a molecular weight of 214.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methoxy-3-methylphenyl)thiourea is sourced from PubChem (CID 169357123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).