N-methylmethanethioamide

C4H10N2S2 — CID 158647227

IUPACN-methylmethanethioamide
SMILESCNC=S.CNC=S
InChIInChI=1S/2C2H5NS/c2*1-3-2-4/h2*2H,1H3,(H,3,4)
InChIKeyIBCPMJMLSKJZKY-UHFFFAOYSA-N
MW150.27 g/mol
LogP0.33
Rot. Bonds2

About N-methylmethanethioamide

N-methylmethanethioamide (PubChem CID 158647227) has the molecular formula C4H10N2S2 and a molecular weight of 150.27 g/mol. Its IUPAC name is N-methylmethanethioamide.

Molecular Properties

Compound NameN-methylmethanethioamide
PubChem CID158647227
Molecular FormulaC4H10N2S2
Molecular Weight150.27 g/mol
Exact Mass150.03
IUPAC NameN-methylmethanethioamide
SMILESCNC=S.CNC=S
InChIInChI=1S/2C2H5NS/c2*1-3-2-4/h2*2H,1H3,(H,3,4)
InChIKeyIBCPMJMLSKJZKY-UHFFFAOYSA-N
XLogP0.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
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 N-methylmethanethioamide?
The IUPAC name of N-methylmethanethioamide (CID 158647227) is N-methylmethanethioamide.
What is the SMILES notation for N-methylmethanethioamide?
The canonical SMILES for N-methylmethanethioamide is CNC=S.CNC=S.
What is the InChIKey of N-methylmethanethioamide?
The InChIKey is IBCPMJMLSKJZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5NS/c2*1-3-2-4/h2*2H,1H3,(H,3,4).
What are the key properties of N-methylmethanethioamide?
N-methylmethanethioamide has a molecular weight of 150.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanethioamide is sourced from PubChem (CID 158647227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).