(2-fluoro-5-methoxy-4-methylphenyl)thiourea

C9H11FN2OS — CID 169358639

IUPAC(2-fluoro-5-methoxy-4-methylphenyl)thiourea
SMILESCOc1cc(NC(N)=S)c(F)cc1C
InChIInChI=1S/C9H11FN2OS/c1-5-3-6(10)7(12-9(11)14)4-8(5)13-2/h3-4H,1-2H3,(H3,11,12,14)
InChIKeyKPAMIYOSKMQIJH-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.80
Rot. Bonds2

About (2-fluoro-5-methoxy-4-methylphenyl)thiourea

(2-fluoro-5-methoxy-4-methylphenyl)thiourea (PubChem CID 169358639) has the molecular formula C9H11FN2OS and a molecular weight of 214.26 g/mol. Its IUPAC name is (2-fluoro-5-methoxy-4-methylphenyl)thiourea.

Molecular Properties

Compound Name(2-fluoro-5-methoxy-4-methylphenyl)thiourea
PubChem CID169358639
Molecular FormulaC9H11FN2OS
Molecular Weight214.26 g/mol
Exact Mass214.06
IUPAC Name(2-fluoro-5-methoxy-4-methylphenyl)thiourea
SMILESCOc1cc(NC(N)=S)c(F)cc1C
InChIInChI=1S/C9H11FN2OS/c1-5-3-6(10)7(12-9(11)14)4-8(5)13-2/h3-4H,1-2H3,(H3,11,12,14)
InChIKeyKPAMIYOSKMQIJH-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

(3,5-difluoro-2-methylphenyl)thiourea
CID 169359533
(4-methoxy-2,3-dimethylphenyl)thiourea
CID 169357786
(4-fluoro-2-methylphenyl)thiourea
CID 28888222
(4-fluoro-2-methoxy-3-methylphenyl)thiourea
CID 169357123
methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate
CID 164584342
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
2-fluoro-4-methoxy-5-methylaniline
CID 89371124
[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid
CID 175536008
[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
CID 75176632
2-(2-fluoro-5-methoxy-4-methylphenyl)propan-2-amine
CID 84774491
(2-methoxy-5-methylsulfonylphenyl)thiourea
CID 87942230
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methoxy-4-methylphenyl)thiourea?
The IUPAC name of (2-fluoro-5-methoxy-4-methylphenyl)thiourea (CID 169358639) is (2-fluoro-5-methoxy-4-methylphenyl)thiourea.
What is the SMILES notation for (2-fluoro-5-methoxy-4-methylphenyl)thiourea?
The canonical SMILES for (2-fluoro-5-methoxy-4-methylphenyl)thiourea is COc1cc(NC(N)=S)c(F)cc1C.
What is the InChIKey of (2-fluoro-5-methoxy-4-methylphenyl)thiourea?
The InChIKey is KPAMIYOSKMQIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS/c1-5-3-6(10)7(12-9(11)14)4-8(5)13-2/h3-4H,1-2H3,(H3,11,12,14).
What are the key properties of (2-fluoro-5-methoxy-4-methylphenyl)thiourea?
(2-fluoro-5-methoxy-4-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 (2-fluoro-5-methoxy-4-methylphenyl)thiourea is sourced from PubChem (CID 169358639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).