methanidyl(thian-3-ylmethyl)azanium

C7H15NS — CID 155624939

IUPACmethanidyl(thian-3-ylmethyl)azanium
SMILES[CH2-][NH2+]CC1CCCSC1
InChIInChI=1S/C7H15NS/c1-8-5-7-3-2-4-9-6-7/h7H,1-6,8H2
InChIKeyQQRRLNGAWAPTHT-UHFFFAOYSA-N
MW145.27 g/mol
LogP0.48
Rot. Bonds2

About methanidyl(thian-3-ylmethyl)azanium

methanidyl(thian-3-ylmethyl)azanium (PubChem CID 155624939) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is methanidyl(thian-3-ylmethyl)azanium.

Molecular Properties

Compound Namemethanidyl(thian-3-ylmethyl)azanium
PubChem CID155624939
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Namemethanidyl(thian-3-ylmethyl)azanium
SMILES[CH2-][NH2+]CC1CCCSC1
InChIInChI=1S/C7H15NS/c1-8-5-7-3-2-4-9-6-7/h7H,1-6,8H2
InChIKeyQQRRLNGAWAPTHT-UHFFFAOYSA-N
XLogP0.48
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl(thian-3-ylmethyl)azanium?
The IUPAC name of methanidyl(thian-3-ylmethyl)azanium (CID 155624939) is methanidyl(thian-3-ylmethyl)azanium.
What is the SMILES notation for methanidyl(thian-3-ylmethyl)azanium?
The canonical SMILES for methanidyl(thian-3-ylmethyl)azanium is [CH2-][NH2+]CC1CCCSC1.
What is the InChIKey of methanidyl(thian-3-ylmethyl)azanium?
The InChIKey is QQRRLNGAWAPTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-8-5-7-3-2-4-9-6-7/h7H,1-6,8H2.
What are the key properties of methanidyl(thian-3-ylmethyl)azanium?
methanidyl(thian-3-ylmethyl)azanium has a molecular weight of 145.27 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(thian-3-ylmethyl)azanium is sourced from PubChem (CID 155624939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).