1-methylsulfanyl-2-nitrososulfanylethane

C3H7NOS2 — CID 142320697

IUPAC1-methylsulfanyl-2-nitrososulfanylethane
SMILESCSCCSN=O
InChIInChI=1S/C3H7NOS2/c1-6-2-3-7-4-5/h2-3H2,1H3
InChIKeyISXLEBHBSNIUNM-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.76
Rot. Bonds4

About 1-methylsulfanyl-2-nitrososulfanylethane

1-methylsulfanyl-2-nitrososulfanylethane (PubChem CID 142320697) has the molecular formula C3H7NOS2 and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-methylsulfanyl-2-nitrososulfanylethane.

Molecular Properties

Compound Name1-methylsulfanyl-2-nitrososulfanylethane
PubChem CID142320697
Molecular FormulaC3H7NOS2
Molecular Weight137.23 g/mol
Exact Mass137.00
IUPAC Name1-methylsulfanyl-2-nitrososulfanylethane
SMILESCSCCSN=O
InChIInChI=1S/C3H7NOS2/c1-6-2-3-7-4-5/h2-3H2,1H3
InChIKeyISXLEBHBSNIUNM-UHFFFAOYSA-N
XLogP1.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-methylsulfanylpropane
CID 12690295
1,4-dimethyl-1-(3-nitrososulfanylpropylperoxy)-1,4-thiazinane
CID 123879888
CID 58608466
CID 58608466
4-(2-methylsulfanylethylsulfanyl)butan-2-one
CID 130647594
2-(2-methylsulfanylethylsulfanyl)ethanol
CID 15150064
butane-1-thiol;dithiolane;2-(3-methylsulfanylpropylsulfanyl)acetaldehyde;O-(3-nitrososulfanylpropylsulfanyl)hydroxylamine
CID 158324087
potassium 2-methylsulfanylethanethiolate
CID 101442184
formaldehyde;1-methoxy-2-methylsulfanylethane
CID 159879063
2-methylsulfanylethyl-oxido-oxophosphanium
CID 138692945
1-methylsulfanyl-3-thionitrosopropane
CID 162829433
1,4-bis(2-methylsulfanylethylsulfanyl)benzene
CID 22897584
1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane
CID 24841778

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-2-nitrososulfanylethane?
The IUPAC name of 1-methylsulfanyl-2-nitrososulfanylethane (CID 142320697) is 1-methylsulfanyl-2-nitrososulfanylethane.
What is the SMILES notation for 1-methylsulfanyl-2-nitrososulfanylethane?
The canonical SMILES for 1-methylsulfanyl-2-nitrososulfanylethane is CSCCSN=O.
What is the InChIKey of 1-methylsulfanyl-2-nitrososulfanylethane?
The InChIKey is ISXLEBHBSNIUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS2/c1-6-2-3-7-4-5/h2-3H2,1H3.
What are the key properties of 1-methylsulfanyl-2-nitrososulfanylethane?
1-methylsulfanyl-2-nitrososulfanylethane has a molecular weight of 137.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-nitrososulfanylethane is sourced from PubChem (CID 142320697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).