methylaminomethoxymethanethiol

C3H9NOS — CID 87914303

IUPACmethylaminomethoxymethanethiol
SMILESCNCOCS
InChIInChI=1S/C3H9NOS/c1-4-2-5-3-6/h4,6H,2-3H2,1H3
InChIKeyUZWPLCQBNVUTNN-UHFFFAOYSA-N
MW107.18 g/mol
LogP0.07
Rot. Bonds3

About methylaminomethoxymethanethiol

methylaminomethoxymethanethiol (PubChem CID 87914303) has the molecular formula C3H9NOS and a molecular weight of 107.18 g/mol. Its IUPAC name is methylaminomethoxymethanethiol.

Molecular Properties

Compound Namemethylaminomethoxymethanethiol
PubChem CID87914303
Molecular FormulaC3H9NOS
Molecular Weight107.18 g/mol
Exact Mass107.04
IUPAC Namemethylaminomethoxymethanethiol
SMILESCNCOCS
InChIInChI=1S/C3H9NOS/c1-4-2-5-3-6/h4,6H,2-3H2,1H3
InChIKeyUZWPLCQBNVUTNN-UHFFFAOYSA-N
XLogP0.07
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylaminomethoxymethanethiol?
The IUPAC name of methylaminomethoxymethanethiol (CID 87914303) is methylaminomethoxymethanethiol.
What is the SMILES notation for methylaminomethoxymethanethiol?
The canonical SMILES for methylaminomethoxymethanethiol is CNCOCS.
What is the InChIKey of methylaminomethoxymethanethiol?
The InChIKey is UZWPLCQBNVUTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NOS/c1-4-2-5-3-6/h4,6H,2-3H2,1H3.
What are the key properties of methylaminomethoxymethanethiol?
methylaminomethoxymethanethiol has a molecular weight of 107.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethoxymethanethiol is sourced from PubChem (CID 87914303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).