thian-4-amine;hydrochloride

C5H12ClNS — CID 18331311

IUPACthian-4-amine;hydrochloride
SMILESCl.NC1CCSCC1
InChIInChI=1S/C5H11NS.ClH/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1H
InChIKeyCAUGAHCEDPFMJU-UHFFFAOYSA-N
MW153.68 g/mol
LogP1.26
Rot. Bonds

About thian-4-amine;hydrochloride

thian-4-amine;hydrochloride (PubChem CID 18331311) has the molecular formula C5H12ClNS and a molecular weight of 153.68 g/mol. Its IUPAC name is thian-4-amine;hydrochloride.

Molecular Properties

Compound Namethian-4-amine;hydrochloride
PubChem CID18331311
Molecular FormulaC5H12ClNS
Molecular Weight153.68 g/mol
Exact Mass153.04
IUPAC Namethian-4-amine;hydrochloride
SMILESCl.NC1CCSCC1
InChIInChI=1S/C5H11NS.ClH/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1H
InChIKeyCAUGAHCEDPFMJU-UHFFFAOYSA-N
XLogP1.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.68
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thian-4-amine;hydrochloride?
The IUPAC name of thian-4-amine;hydrochloride (CID 18331311) is thian-4-amine;hydrochloride.
What is the SMILES notation for thian-4-amine;hydrochloride?
The canonical SMILES for thian-4-amine;hydrochloride is Cl.NC1CCSCC1.
What is the InChIKey of thian-4-amine;hydrochloride?
The InChIKey is CAUGAHCEDPFMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.ClH/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1H.
What are the key properties of thian-4-amine;hydrochloride?
thian-4-amine;hydrochloride has a molecular weight of 153.68 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thian-4-amine;hydrochloride is sourced from PubChem (CID 18331311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).