2-methylsulfanylethanethioamide;hydrobromide

C3H8BrNS2 — CID 87846618

IUPAC2-methylsulfanylethanethioamide;hydrobromide
SMILESBr.CSCC(N)=S
InChIInChI=1S/C3H7NS2.BrH/c1-6-2-3(4)5;/h2H2,1H3,(H2,4,5);1H
InChIKeyYZAHEYZBKXHBRX-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.21
Rot. Bonds2

About 2-methylsulfanylethanethioamide;hydrobromide

2-methylsulfanylethanethioamide;hydrobromide (PubChem CID 87846618) has the molecular formula C3H8BrNS2 and a molecular weight of 202.14 g/mol. Its IUPAC name is 2-methylsulfanylethanethioamide;hydrobromide.

Molecular Properties

Compound Name2-methylsulfanylethanethioamide;hydrobromide
PubChem CID87846618
Molecular FormulaC3H8BrNS2
Molecular Weight202.14 g/mol
Exact Mass200.93
IUPAC Name2-methylsulfanylethanethioamide;hydrobromide
SMILESBr.CSCC(N)=S
InChIInChI=1S/C3H7NS2.BrH/c1-6-2-3(4)5;/h2H2,1H3,(H2,4,5);1H
InChIKeyYZAHEYZBKXHBRX-UHFFFAOYSA-N
XLogP1.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.21
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 2-methylsulfanylethanethioamide;hydrobromide?
The IUPAC name of 2-methylsulfanylethanethioamide;hydrobromide (CID 87846618) is 2-methylsulfanylethanethioamide;hydrobromide.
What is the SMILES notation for 2-methylsulfanylethanethioamide;hydrobromide?
The canonical SMILES for 2-methylsulfanylethanethioamide;hydrobromide is Br.CSCC(N)=S.
What is the InChIKey of 2-methylsulfanylethanethioamide;hydrobromide?
The InChIKey is YZAHEYZBKXHBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NS2.BrH/c1-6-2-3(4)5;/h2H2,1H3,(H2,4,5);1H.
What are the key properties of 2-methylsulfanylethanethioamide;hydrobromide?
2-methylsulfanylethanethioamide;hydrobromide has a molecular weight of 202.14 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethanethioamide;hydrobromide is sourced from PubChem (CID 87846618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).