[(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride

C5H14ClNS — CID 11435067

IUPAC[(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride
SMILESCC(C)[C@H]([NH3+])CS.[Cl-]
InChIInChI=1S/C5H13NS.ClH/c1-4(2)5(6)3-7;/h4-5,7H,3,6H2,1-2H3;1H/t5-;/m1./s1
InChIKeyBACDLVHRIVSAMI-NUBCRITNSA-N
MW155.69 g/mol
LogP-2.81
Rot. Bonds2

About [(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride

[(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride (PubChem CID 11435067) has the molecular formula C5H14ClNS and a molecular weight of 155.69 g/mol. Its IUPAC name is [(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride
PubChem CID11435067
Molecular FormulaC5H14ClNS
Molecular Weight155.69 g/mol
Exact Mass155.05
IUPAC Name[(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride
SMILESCC(C)[C@H]([NH3+])CS.[Cl-]
InChIInChI=1S/C5H13NS.ClH/c1-4(2)5(6)3-7;/h4-5,7H,3,6H2,1-2H3;1H/t5-;/m1./s1
InChIKeyBACDLVHRIVSAMI-NUBCRITNSA-N
XLogP-2.81
TPSA27.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.69
LogP ≤ 5-2.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 [(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride?
The IUPAC name of [(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride (CID 11435067) is [(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride is CC(C)[C@H]([NH3+])CS.[Cl-].
What is the InChIKey of [(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride?
The InChIKey is BACDLVHRIVSAMI-NUBCRITNSA-N. The full InChI is InChI=1S/C5H13NS.ClH/c1-4(2)5(6)3-7;/h4-5,7H,3,6H2,1-2H3;1H/t5-;/m1./s1.
What are the key properties of [(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride?
[(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride has a molecular weight of 155.69 g/mol, XLogP of -2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-methyl-1-sulfanylbutan-2-yl]azanium chloride is sourced from PubChem (CID 11435067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).