N-methylmethanamine;O-methyl methylsulfanylmethanethioate

C5H13NOS2 — CID 172774796

IUPACN-methylmethanamine;O-methyl methylsulfanylmethanethioate
SMILESCNC.COC(=S)SC
InChIInChI=1S/C3H6OS2.C2H7N/c1-4-3(5)6-2;1-3-2/h1-2H3;3H,1-2H3
InChIKeyNLBUCSQTQHTALV-UHFFFAOYSA-N
MW167.30 g/mol
LogP1.12
Rot. Bonds

About N-methylmethanamine;O-methyl methylsulfanylmethanethioate

N-methylmethanamine;O-methyl methylsulfanylmethanethioate (PubChem CID 172774796) has the molecular formula C5H13NOS2 and a molecular weight of 167.30 g/mol. Its IUPAC name is N-methylmethanamine;O-methyl methylsulfanylmethanethioate.

Molecular Properties

Compound NameN-methylmethanamine;O-methyl methylsulfanylmethanethioate
PubChem CID172774796
Molecular FormulaC5H13NOS2
Molecular Weight167.30 g/mol
Exact Mass167.04
IUPAC NameN-methylmethanamine;O-methyl methylsulfanylmethanethioate
SMILESCNC.COC(=S)SC
InChIInChI=1S/C3H6OS2.C2H7N/c1-4-3(5)6-2;1-3-2/h1-2H3;3H,1-2H3
InChIKeyNLBUCSQTQHTALV-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-methylmethanamine;O-methyl methylsulfanylmethanethioate?
The IUPAC name of N-methylmethanamine;O-methyl methylsulfanylmethanethioate (CID 172774796) is N-methylmethanamine;O-methyl methylsulfanylmethanethioate.
What is the SMILES notation for N-methylmethanamine;O-methyl methylsulfanylmethanethioate?
The canonical SMILES for N-methylmethanamine;O-methyl methylsulfanylmethanethioate is CNC.COC(=S)SC.
What is the InChIKey of N-methylmethanamine;O-methyl methylsulfanylmethanethioate?
The InChIKey is NLBUCSQTQHTALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS2.C2H7N/c1-4-3(5)6-2;1-3-2/h1-2H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;O-methyl methylsulfanylmethanethioate?
N-methylmethanamine;O-methyl methylsulfanylmethanethioate has a molecular weight of 167.30 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;O-methyl methylsulfanylmethanethioate is sourced from PubChem (CID 172774796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).