methanethione;2-methylpropan-2-amine

C5H13NS — CID 167458239

IUPACmethanethione;2-methylpropan-2-amine
SMILESC=S.CC(C)(C)N
InChIInChI=1S/C4H11N.CH2S/c1-4(2,3)5;1-2/h5H2,1-3H3;1H2
InChIKeyAVNIAUWUMDZAFS-UHFFFAOYSA-N
MW119.23 g/mol
LogP1.36
Rot. Bonds

About methanethione;2-methylpropan-2-amine

methanethione;2-methylpropan-2-amine (PubChem CID 167458239) has the molecular formula C5H13NS and a molecular weight of 119.23 g/mol. Its IUPAC name is methanethione;2-methylpropan-2-amine.

Molecular Properties

Compound Namemethanethione;2-methylpropan-2-amine
PubChem CID167458239
Molecular FormulaC5H13NS
Molecular Weight119.23 g/mol
Exact Mass119.08
IUPAC Namemethanethione;2-methylpropan-2-amine
SMILESC=S.CC(C)(C)N
InChIInChI=1S/C4H11N.CH2S/c1-4(2,3)5;1-2/h5H2,1-3H3;1H2
InChIKeyAVNIAUWUMDZAFS-UHFFFAOYSA-N
XLogP1.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 175795972
CID 175795972
tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
CID 159299187
bis(2-methylpropan-2-amine);dihydrochloride
CID 175186319
ethane;2-methylpropan-2-amine
CID 142052554
magnesium;2-methylpropan-2-amine;dibromide
CID 175491555
ethene;2-methylpropan-2-amine;tritium monohydride;tungsten
CID 160631476
bis(2-methylpropan-2-amine);propane
CID 160822364
cyclononane;methane;2-methylpropan-2-amine
CID 158652044
2-methylpropan-2-amine;trifluoroborane
CID 175302179
1-silylethane-1,1-diamine
CID 123735902
propane-1,1,1,2,2-pentamine
CID 21225260
2-methylpropan-2-amine;propan-1-amine
CID 19917238

Frequently Asked Questions

What is the IUPAC name of methanethione;2-methylpropan-2-amine?
The IUPAC name of methanethione;2-methylpropan-2-amine (CID 167458239) is methanethione;2-methylpropan-2-amine.
What is the SMILES notation for methanethione;2-methylpropan-2-amine?
The canonical SMILES for methanethione;2-methylpropan-2-amine is C=S.CC(C)(C)N.
What is the InChIKey of methanethione;2-methylpropan-2-amine?
The InChIKey is AVNIAUWUMDZAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.CH2S/c1-4(2,3)5;1-2/h5H2,1-3H3;1H2.
What are the key properties of methanethione;2-methylpropan-2-amine?
methanethione;2-methylpropan-2-amine has a molecular weight of 119.23 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanethione;2-methylpropan-2-amine is sourced from PubChem (CID 167458239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).