N-(2,5-dimethylphenyl)methanethioamide

C9H11NS — CID 123161887

IUPACN-(2,5-dimethylphenyl)methanethioamide
SMILESCc1ccc(C)c(NC=S)c1
InChIInChI=1S/C9H11NS/c1-7-3-4-8(2)9(5-7)10-6-11/h3-6H,1-2H3,(H,10,11)
InChIKeyUKDIDDDXZXYYLB-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.67
Rot. Bonds2

About N-(2,5-dimethylphenyl)methanethioamide

N-(2,5-dimethylphenyl)methanethioamide (PubChem CID 123161887) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)methanethioamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)methanethioamide
PubChem CID123161887
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC NameN-(2,5-dimethylphenyl)methanethioamide
SMILESCc1ccc(C)c(NC=S)c1
InChIInChI=1S/C9H11NS/c1-7-3-4-8(2)9(5-7)10-6-11/h3-6H,1-2H3,(H,10,11)
InChIKeyUKDIDDDXZXYYLB-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)formamide;methane
CID 143644510
N-(2,5-dimethylphenyl)-N'-ethylmethanimidamide
CID 135275915
N-bromo-2,5-dimethylaniline
CID 154170384
N-chloro-2,5-dimethylaniline
CID 141218472
2,5-dimethyl-N-[(E)-2-(4-methylphenyl)prop-1-enyl]aniline
CID 59110370
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
methyl (E)-2-cyano-3-(2,5-dimethylanilino)prop-2-enoate
CID 17138291
N-[(E)-3-chloroprop-2-enyl]-2,5-dimethylaniline
CID 103791906
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
1-(4-bromophenyl)-3-(2,5-dimethylanilino)prop-2-en-1-one
CID 2917145
(2Z)-N-(2,5-dimethylphenyl)-2-hydroxyiminoacetamide
CID 6418397
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)methanethioamide?
The IUPAC name of N-(2,5-dimethylphenyl)methanethioamide (CID 123161887) is N-(2,5-dimethylphenyl)methanethioamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)methanethioamide?
The canonical SMILES for N-(2,5-dimethylphenyl)methanethioamide is Cc1ccc(C)c(NC=S)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)methanethioamide?
The InChIKey is UKDIDDDXZXYYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-7-3-4-8(2)9(5-7)10-6-11/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-(2,5-dimethylphenyl)methanethioamide?
N-(2,5-dimethylphenyl)methanethioamide has a molecular weight of 165.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)methanethioamide is sourced from PubChem (CID 123161887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).