2-methylthian-4-amine;hydrochloride

C6H14ClNS — CID 174162077

IUPAC2-methylthian-4-amine;hydrochloride
SMILESCC1CC(N)CCS1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-5-4-6(7)2-3-8-5;/h5-6H,2-4,7H2,1H3;1H
InChIKeyIVEZIBDKKMYCAN-UHFFFAOYSA-N
MW167.70 g/mol
LogP1.65
Rot. Bonds

About 2-methylthian-4-amine;hydrochloride

2-methylthian-4-amine;hydrochloride (PubChem CID 174162077) has the molecular formula C6H14ClNS and a molecular weight of 167.70 g/mol. Its IUPAC name is 2-methylthian-4-amine;hydrochloride.

Molecular Properties

Compound Name2-methylthian-4-amine;hydrochloride
PubChem CID174162077
Molecular FormulaC6H14ClNS
Molecular Weight167.70 g/mol
Exact Mass167.05
IUPAC Name2-methylthian-4-amine;hydrochloride
SMILESCC1CC(N)CCS1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-5-4-6(7)2-3-8-5;/h5-6H,2-4,7H2,1H3;1H
InChIKeyIVEZIBDKKMYCAN-UHFFFAOYSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.70
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylthian-4-yl)methanamine
CID 83905002
1-(5-methylthiolan-3-yl)piperidin-4-amine
CID 79950607
amino 2-methylthiane-4-carboxylate
CID 91340282
2-methylthiirane;thiirane
CID 22367971
(1R)-3-methylcyclopentan-1-amine
CID 58346799
cis-(1R,3S)-3-aminocyclopentan-1-ol;dihydrochloride
CID 121471734
cis-(1R,3S)-3-aminocyclopentan-1-ol;hydrochloride
CID 56845289
[1-(5-methylthiolan-3-yl)piperidin-4-yl]methanamine
CID 79949423
4-fluoro-2-methylthiolane
CID 66729895
(3S)-3-methylcyclohexan-1-amine
CID 55284906
3-aminocyclopentan-1-ol;ethane
CID 144981128
3-methylthiolane-2-thiol
CID 131969015

Frequently Asked Questions

What is the IUPAC name of 2-methylthian-4-amine;hydrochloride?
The IUPAC name of 2-methylthian-4-amine;hydrochloride (CID 174162077) is 2-methylthian-4-amine;hydrochloride.
What is the SMILES notation for 2-methylthian-4-amine;hydrochloride?
The canonical SMILES for 2-methylthian-4-amine;hydrochloride is CC1CC(N)CCS1.Cl.
What is the InChIKey of 2-methylthian-4-amine;hydrochloride?
The InChIKey is IVEZIBDKKMYCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.ClH/c1-5-4-6(7)2-3-8-5;/h5-6H,2-4,7H2,1H3;1H.
What are the key properties of 2-methylthian-4-amine;hydrochloride?
2-methylthian-4-amine;hydrochloride has a molecular weight of 167.70 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthian-4-amine;hydrochloride is sourced from PubChem (CID 174162077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).