[4-(3-methoxyphenoxy)phenyl]thiourea

C14H14N2O2S — CID 169356411

IUPAC[4-(3-methoxyphenoxy)phenyl]thiourea
SMILESCOc1cccc(Oc2ccc(NC(N)=S)cc2)c1
InChIInChI=1S/C14H14N2O2S/c1-17-12-3-2-4-13(9-12)18-11-7-5-10(6-8-11)16-14(15)19/h2-9H,1H3,(H3,15,16,19)
InChIKeyBDHXCKHCYQLIGL-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.14
Rot. Bonds4

About [4-(3-methoxyphenoxy)phenyl]thiourea

[4-(3-methoxyphenoxy)phenyl]thiourea (PubChem CID 169356411) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is [4-(3-methoxyphenoxy)phenyl]thiourea.

Molecular Properties

Compound Name[4-(3-methoxyphenoxy)phenyl]thiourea
PubChem CID169356411
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name[4-(3-methoxyphenoxy)phenyl]thiourea
SMILESCOc1cccc(Oc2ccc(NC(N)=S)cc2)c1
InChIInChI=1S/C14H14N2O2S/c1-17-12-3-2-4-13(9-12)18-11-7-5-10(6-8-11)16-14(15)19/h2-9H,1H3,(H3,15,16,19)
InChIKeyBDHXCKHCYQLIGL-UHFFFAOYSA-N
XLogP3.14
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
methyl 4-[3-(carbamothioylamino)phenoxy]benzoate
CID 169359574
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
[4-(4-bromophenoxy)phenyl]thiourea
CID 99938022
2-amino-3-hydroxy-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 69268031
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)thiourea
CID 976451
2-bromo-4-(3-methoxyphenoxy)benzenecarbothioamide
CID 107278279
N-(4-phenoxyphenyl)ethanethioamide
CID 59402779
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
[(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid
CID 118588187
cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 154915202

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenoxy)phenyl]thiourea?
The IUPAC name of [4-(3-methoxyphenoxy)phenyl]thiourea (CID 169356411) is [4-(3-methoxyphenoxy)phenyl]thiourea.
What is the SMILES notation for [4-(3-methoxyphenoxy)phenyl]thiourea?
The canonical SMILES for [4-(3-methoxyphenoxy)phenyl]thiourea is COc1cccc(Oc2ccc(NC(N)=S)cc2)c1.
What is the InChIKey of [4-(3-methoxyphenoxy)phenyl]thiourea?
The InChIKey is BDHXCKHCYQLIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-17-12-3-2-4-13(9-12)18-11-7-5-10(6-8-11)16-14(15)19/h2-9H,1H3,(H3,15,16,19).
What are the key properties of [4-(3-methoxyphenoxy)phenyl]thiourea?
[4-(3-methoxyphenoxy)phenyl]thiourea has a molecular weight of 274.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenoxy)phenyl]thiourea is sourced from PubChem (CID 169356411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).