4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide

C10H13NO2S — CID 60928966

IUPAC4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide
SMILESCc1cc(C(N)=S)ccc1OCCO
InChIInChI=1S/C10H13NO2S/c1-7-6-8(10(11)14)2-3-9(7)13-5-4-12/h2-3,6,12H,4-5H2,1H3,(H2,11,14)
InChIKeyDFBOMHIMKYAYAL-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.00
Rot. Bonds4

About 4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide

4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide (PubChem CID 60928966) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide
PubChem CID60928966
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide
SMILESCc1cc(C(N)=S)ccc1OCCO
InChIInChI=1S/C10H13NO2S/c1-7-6-8(10(11)14)2-3-9(7)13-5-4-12/h2-3,6,12H,4-5H2,1H3,(H2,11,14)
InChIKeyDFBOMHIMKYAYAL-UHFFFAOYSA-N
XLogP1.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.00
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

2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol
CID 82077815
4-methoxy-3-[2-(2-methylphenoxy)ethoxy]benzenecarbothioamide
CID 20987436
4-(6-hydroxyhexoxy)-3-methoxybenzenecarbothioamide
CID 107703833
4-(2-fluoroethoxy)-3-methoxybenzenecarbothioamide
CID 80693896
4-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzenecarbothioamide
CID 22681311
3-chloro-4-(5-hydroxypentoxy)benzenecarbothioamide
CID 62228846
2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
4-methyl-3-(3-phenoxypropoxy)benzenecarbothioamide
CID 107656189
4-methyl-3-[2-(2-methylpropoxy)ethoxy]benzenecarbothioamide
CID 107656607
3-(5-carbamothioyl-2-methylphenoxy)-N,N-dimethylpropanamide
CID 107656566
3-[2-(dimethylamino)ethoxy]-4-methoxybenzenecarbothioamide
CID 22685297
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide?
The IUPAC name of 4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide (CID 60928966) is 4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide.
What is the SMILES notation for 4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide?
The canonical SMILES for 4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide is Cc1cc(C(N)=S)ccc1OCCO.
What is the InChIKey of 4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide?
The InChIKey is DFBOMHIMKYAYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-6-8(10(11)14)2-3-9(7)13-5-4-12/h2-3,6,12H,4-5H2,1H3,(H2,11,14).
What are the key properties of 4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide?
4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide has a molecular weight of 211.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide is sourced from PubChem (CID 60928966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).