1-(dimethylamino)-2-methylsulfanylpropane-2-thiol

C6H15NS2 — CID 91508508

IUPAC1-(dimethylamino)-2-methylsulfanylpropane-2-thiol
SMILESCSC(C)(S)CN(C)C
InChIInChI=1S/C6H15NS2/c1-6(8,9-4)5-7(2)3/h8H,5H2,1-4H3
InChIKeyXTBVPBFYTXWJNB-UHFFFAOYSA-N
MW165.33 g/mol
LogP1.56
Rot. Bonds3

About 1-(dimethylamino)-2-methylsulfanylpropane-2-thiol

1-(dimethylamino)-2-methylsulfanylpropane-2-thiol (PubChem CID 91508508) has the molecular formula C6H15NS2 and a molecular weight of 165.33 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methylsulfanylpropane-2-thiol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methylsulfanylpropane-2-thiol
PubChem CID91508508
Molecular FormulaC6H15NS2
Molecular Weight165.33 g/mol
Exact Mass165.06
IUPAC Name1-(dimethylamino)-2-methylsulfanylpropane-2-thiol
SMILESCSC(C)(S)CN(C)C
InChIInChI=1S/C6H15NS2/c1-6(8,9-4)5-7(2)3/h8H,5H2,1-4H3
InChIKeyXTBVPBFYTXWJNB-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 1-(dimethylamino)-2-methylpropan-2-olate
CID 90331914
tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)
CID 121235831
2-methylsulfanylpropane-2-thiol
CID 123824201
methane;N,N,2,2-tetramethylpropan-1-amine
CID 160781651
2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 160709278
2-bromo-N,N,2-trimethylpropan-1-amine
CID 138664170
lithium;hydride;N,N,2,2-tetramethylpropan-1-amine
CID 174663551
1-N,1-N,1-N',1-N',2-N,2-N-hexamethyl-1-silylethane-1,1,2-triamine
CID 173059458
1-(dimethylamino)-2-methylpropan-2-ol;nickel
CID 158562647
1-(dimethylamino)-2-methylpropan-2-ol;ethane
CID 162022408
2-[1-(dimethylamino)-2-methylpropan-2-yl]oxypropan-2-ylthallium
CID 143143505
tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate
CID 139158845

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methylsulfanylpropane-2-thiol?
The IUPAC name of 1-(dimethylamino)-2-methylsulfanylpropane-2-thiol (CID 91508508) is 1-(dimethylamino)-2-methylsulfanylpropane-2-thiol.
What is the SMILES notation for 1-(dimethylamino)-2-methylsulfanylpropane-2-thiol?
The canonical SMILES for 1-(dimethylamino)-2-methylsulfanylpropane-2-thiol is CSC(C)(S)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-methylsulfanylpropane-2-thiol?
The InChIKey is XTBVPBFYTXWJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS2/c1-6(8,9-4)5-7(2)3/h8H,5H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methylsulfanylpropane-2-thiol?
1-(dimethylamino)-2-methylsulfanylpropane-2-thiol has a molecular weight of 165.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methylsulfanylpropane-2-thiol is sourced from PubChem (CID 91508508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).