(3-aminocyclobutyl)methanethiol;hydrochloride

C5H12ClNS — CID 155977958

IUPAC(3-aminocyclobutyl)methanethiol;hydrochloride
SMILESCl.NC1CC(CS)C1
InChIInChI=1S/C5H11NS.ClH/c6-5-1-4(2-5)3-7;/h4-5,7H,1-3,6H2;1H
InChIKeyYTCAQUAUEGYGIG-UHFFFAOYSA-N
MW153.68 g/mol
LogP1.08
Rot. Bonds1

About (3-aminocyclobutyl)methanethiol;hydrochloride

(3-aminocyclobutyl)methanethiol;hydrochloride (PubChem CID 155977958) has the molecular formula C5H12ClNS and a molecular weight of 153.68 g/mol. Its IUPAC name is (3-aminocyclobutyl)methanethiol;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclobutyl)methanethiol;hydrochloride
PubChem CID155977958
Molecular FormulaC5H12ClNS
Molecular Weight153.68 g/mol
Exact Mass153.04
IUPAC Name(3-aminocyclobutyl)methanethiol;hydrochloride
SMILESCl.NC1CC(CS)C1
InChIInChI=1S/C5H11NS.ClH/c6-5-1-4(2-5)3-7;/h4-5,7H,1-3,6H2;1H
InChIKeyYTCAQUAUEGYGIG-UHFFFAOYSA-N
XLogP1.08
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.68
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclobutyl)methanethiol;hydrochloride?
The IUPAC name of (3-aminocyclobutyl)methanethiol;hydrochloride (CID 155977958) is (3-aminocyclobutyl)methanethiol;hydrochloride.
What is the SMILES notation for (3-aminocyclobutyl)methanethiol;hydrochloride?
The canonical SMILES for (3-aminocyclobutyl)methanethiol;hydrochloride is Cl.NC1CC(CS)C1.
What is the InChIKey of (3-aminocyclobutyl)methanethiol;hydrochloride?
The InChIKey is YTCAQUAUEGYGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.ClH/c6-5-1-4(2-5)3-7;/h4-5,7H,1-3,6H2;1H.
What are the key properties of (3-aminocyclobutyl)methanethiol;hydrochloride?
(3-aminocyclobutyl)methanethiol;hydrochloride has a molecular weight of 153.68 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclobutyl)methanethiol;hydrochloride is sourced from PubChem (CID 155977958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).