(4-methoxy-2,3-dimethylphenyl)thiourea

C10H14N2OS — CID 169357786

IUPAC(4-methoxy-2,3-dimethylphenyl)thiourea
SMILESCOc1ccc(NC(N)=S)c(C)c1C
InChIInChI=1S/C10H14N2OS/c1-6-7(2)9(13-3)5-4-8(6)12-10(11)14/h4-5H,1-3H3,(H3,11,12,14)
InChIKeyFYSCEZNBMOLHRD-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.97
Rot. Bonds2

About (4-methoxy-2,3-dimethylphenyl)thiourea

(4-methoxy-2,3-dimethylphenyl)thiourea (PubChem CID 169357786) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (4-methoxy-2,3-dimethylphenyl)thiourea.

Molecular Properties

Compound Name(4-methoxy-2,3-dimethylphenyl)thiourea
PubChem CID169357786
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(4-methoxy-2,3-dimethylphenyl)thiourea
SMILESCOc1ccc(NC(N)=S)c(C)c1C
InChIInChI=1S/C10H14N2OS/c1-6-7(2)9(13-3)5-4-8(6)12-10(11)14/h4-5H,1-3H3,(H3,11,12,14)
InChIKeyFYSCEZNBMOLHRD-UHFFFAOYSA-N
XLogP1.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.97
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

(2,3,4-trimethoxyphenyl)thiourea
CID 18536860
N-(4-methoxy-2,3-dimethylphenyl)-2-methylpropanamide
CID 110777719
(4-fluoro-2-methoxy-3-methylphenyl)thiourea
CID 169357123
4-(carbamothioylamino)-3-methoxybenzoic acid
CID 91875438
(2-methoxy-5-methylsulfonylphenyl)thiourea
CID 87942230
2-cyano-N-(4-methoxy-2,3-dimethylphenyl)butanamide
CID 115188138
1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181819
[2-methoxy-5-(trifluoromethyl)phenyl]thiourea
CID 75176632
N-[(4-aminophenyl)methyl]-4-methoxy-2,3-dimethylaniline
CID 115212367
methyl 3-(carbamothioylamino)-6-fluoro-2-methylbenzoate
CID 169359380
N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride
CID 115194384
(2-fluoro-5-methoxy-4-methylphenyl)thiourea
CID 169358639

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3-dimethylphenyl)thiourea?
The IUPAC name of (4-methoxy-2,3-dimethylphenyl)thiourea (CID 169357786) is (4-methoxy-2,3-dimethylphenyl)thiourea.
What is the SMILES notation for (4-methoxy-2,3-dimethylphenyl)thiourea?
The canonical SMILES for (4-methoxy-2,3-dimethylphenyl)thiourea is COc1ccc(NC(N)=S)c(C)c1C.
What is the InChIKey of (4-methoxy-2,3-dimethylphenyl)thiourea?
The InChIKey is FYSCEZNBMOLHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-6-7(2)9(13-3)5-4-8(6)12-10(11)14/h4-5H,1-3H3,(H3,11,12,14).
What are the key properties of (4-methoxy-2,3-dimethylphenyl)thiourea?
(4-methoxy-2,3-dimethylphenyl)thiourea has a molecular weight of 210.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,3-dimethylphenyl)thiourea is sourced from PubChem (CID 169357786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).