(2S)-2-methylthiomorpholine-3-thione

C5H9NS2 — CID 139962054

IUPAC(2S)-2-methylthiomorpholine-3-thione
SMILESC[C@@H]1SCCNC1=S
InChIInChI=1S/C5H9NS2/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyLLDMSTDBOMJNJM-BYPYZUCNSA-N
MW147.27 g/mol
LogP1.04
Rot. Bonds

About (2S)-2-methylthiomorpholine-3-thione

(2S)-2-methylthiomorpholine-3-thione (PubChem CID 139962054) has the molecular formula C5H9NS2 and a molecular weight of 147.27 g/mol. Its IUPAC name is (2S)-2-methylthiomorpholine-3-thione.

Molecular Properties

Compound Name(2S)-2-methylthiomorpholine-3-thione
PubChem CID139962054
Molecular FormulaC5H9NS2
Molecular Weight147.27 g/mol
Exact Mass147.02
IUPAC Name(2S)-2-methylthiomorpholine-3-thione
SMILESC[C@@H]1SCCNC1=S
InChIInChI=1S/C5H9NS2/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1
InChIKeyLLDMSTDBOMJNJM-BYPYZUCNSA-N
XLogP1.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylthiomorpholine-3-thione?
The IUPAC name of (2S)-2-methylthiomorpholine-3-thione (CID 139962054) is (2S)-2-methylthiomorpholine-3-thione.
What is the SMILES notation for (2S)-2-methylthiomorpholine-3-thione?
The canonical SMILES for (2S)-2-methylthiomorpholine-3-thione is C[C@@H]1SCCNC1=S.
What is the InChIKey of (2S)-2-methylthiomorpholine-3-thione?
The InChIKey is LLDMSTDBOMJNJM-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NS2/c1-4-5(7)6-2-3-8-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1.
What are the key properties of (2S)-2-methylthiomorpholine-3-thione?
(2S)-2-methylthiomorpholine-3-thione has a molecular weight of 147.27 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylthiomorpholine-3-thione is sourced from PubChem (CID 139962054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).