S-methylthiohydroxylamine;propane

C4H13NS — CID 18006374

IUPACS-methylthiohydroxylamine;propane
SMILESCCC.CSN
InChIInChI=1S/C3H8.CH5NS/c2*1-3-2/h3H2,1-2H3;2H2,1H3
InChIKeyONAKBVLHMCMRBO-UHFFFAOYSA-N
MW107.22 g/mol
LogP1.64
Rot. Bonds

About S-methylthiohydroxylamine;propane

S-methylthiohydroxylamine;propane (PubChem CID 18006374) has the molecular formula C4H13NS and a molecular weight of 107.22 g/mol. Its IUPAC name is S-methylthiohydroxylamine;propane.

Molecular Properties

Compound NameS-methylthiohydroxylamine;propane
PubChem CID18006374
Molecular FormulaC4H13NS
Molecular Weight107.22 g/mol
Exact Mass107.08
IUPAC NameS-methylthiohydroxylamine;propane
SMILESCCC.CSN
InChIInChI=1S/C3H8.CH5NS/c2*1-3-2/h3H2,1-2H3;2H2,1H3
InChIKeyONAKBVLHMCMRBO-UHFFFAOYSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-methylthiohydroxylamine;propane?
The IUPAC name of S-methylthiohydroxylamine;propane (CID 18006374) is S-methylthiohydroxylamine;propane.
What is the SMILES notation for S-methylthiohydroxylamine;propane?
The canonical SMILES for S-methylthiohydroxylamine;propane is CCC.CSN.
What is the InChIKey of S-methylthiohydroxylamine;propane?
The InChIKey is ONAKBVLHMCMRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.CH5NS/c2*1-3-2/h3H2,1-2H3;2H2,1H3.
What are the key properties of S-methylthiohydroxylamine;propane?
S-methylthiohydroxylamine;propane has a molecular weight of 107.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-methylthiohydroxylamine;propane is sourced from PubChem (CID 18006374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).