1-methylsulfanyl-1-nitrosoethane

C3H7NOS — CID 54571656

IUPAC1-methylsulfanyl-1-nitrosoethane
SMILESCSC(C)N=O
InChIInChI=1S/C3H7NOS/c1-3(4-5)6-2/h3H,1-2H3
InChIKeyZXSFKTYTKYOPDU-UHFFFAOYSA-N
MW105.16 g/mol
LogP1.46
Rot. Bonds2

About 1-methylsulfanyl-1-nitrosoethane

1-methylsulfanyl-1-nitrosoethane (PubChem CID 54571656) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is 1-methylsulfanyl-1-nitrosoethane.

Molecular Properties

Compound Name1-methylsulfanyl-1-nitrosoethane
PubChem CID54571656
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC Name1-methylsulfanyl-1-nitrosoethane
SMILESCSC(C)N=O
InChIInChI=1S/C3H7NOS/c1-3(4-5)6-2/h3H,1-2H3
InChIKeyZXSFKTYTKYOPDU-UHFFFAOYSA-N
XLogP1.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfanyl-1-nitrosoethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-1-methylsulfanyl-1-nitrosoethane
CID 54181931
1,1,1-Trifluoro-2-methylsulfanyl-2-nitrosoethane
CID 54510714
2-(1-Nitrosoethylsulfanyl)propane
CID 53875239
1-Methylsulfanyl-2-nitrosoethane
CID 53893919
1-Ethylsulfanyl-1-nitrosoethane
CID 54368738
1-Methylsulfanyl-1-nitroethane
CID 54371752
Trimethyl(2-nitrosoethyl)-lambda4-sulfane
CID 141937004

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-1-nitrosoethane?
The IUPAC name of 1-methylsulfanyl-1-nitrosoethane (CID 54571656) is 1-methylsulfanyl-1-nitrosoethane.
What is the SMILES notation for 1-methylsulfanyl-1-nitrosoethane?
The canonical SMILES for 1-methylsulfanyl-1-nitrosoethane is CSC(C)N=O.
What is the InChIKey of 1-methylsulfanyl-1-nitrosoethane?
The InChIKey is ZXSFKTYTKYOPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS/c1-3(4-5)6-2/h3H,1-2H3.
What are the key properties of 1-methylsulfanyl-1-nitrosoethane?
1-methylsulfanyl-1-nitrosoethane has a molecular weight of 105.16 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-1-nitrosoethane is sourced from PubChem (CID 54571656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).