dimethylamino-(4-propylphenyl)methanethiol

C12H19NS — CID 116909375

IUPACdimethylamino-(4-propylphenyl)methanethiol
SMILESCCCc1ccc(C(S)N(C)C)cc1
InChIInChI=1S/C12H19NS/c1-4-5-10-6-8-11(9-7-10)12(14)13(2)3/h6-9,12,14H,4-5H2,1-3H3
InChIKeyYQIYNBCNQXSTBH-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.13
Rot. Bonds4

About dimethylamino-(4-propylphenyl)methanethiol

dimethylamino-(4-propylphenyl)methanethiol (PubChem CID 116909375) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is dimethylamino-(4-propylphenyl)methanethiol.

Molecular Properties

Compound Namedimethylamino-(4-propylphenyl)methanethiol
PubChem CID116909375
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Namedimethylamino-(4-propylphenyl)methanethiol
SMILESCCCc1ccc(C(S)N(C)C)cc1
InChIInChI=1S/C12H19NS/c1-4-5-10-6-8-11(9-7-10)12(14)13(2)3/h6-9,12,14H,4-5H2,1-3H3
InChIKeyYQIYNBCNQXSTBH-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze dimethylamino-(4-propylphenyl)methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis(4-propylphenyl)ethane-1,2-dithiol
CID 101102622
1-N,2-N,2-N,2-tetramethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79053289
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79054269
1-(1-chloropropyl)-4-propylbenzene
CID 63432383
1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine
CID 116905803
2-hydrazinyl-N,N-dimethyl-2-(4-propylphenyl)ethanamine
CID 105244634
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 79645598
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158

Frequently Asked Questions

What is the IUPAC name of dimethylamino-(4-propylphenyl)methanethiol?
The IUPAC name of dimethylamino-(4-propylphenyl)methanethiol (CID 116909375) is dimethylamino-(4-propylphenyl)methanethiol.
What is the SMILES notation for dimethylamino-(4-propylphenyl)methanethiol?
The canonical SMILES for dimethylamino-(4-propylphenyl)methanethiol is CCCc1ccc(C(S)N(C)C)cc1.
What is the InChIKey of dimethylamino-(4-propylphenyl)methanethiol?
The InChIKey is YQIYNBCNQXSTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-5-10-6-8-11(9-7-10)12(14)13(2)3/h6-9,12,14H,4-5H2,1-3H3.
What are the key properties of dimethylamino-(4-propylphenyl)methanethiol?
dimethylamino-(4-propylphenyl)methanethiol has a molecular weight of 209.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(4-propylphenyl)methanethiol is sourced from PubChem (CID 116909375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).