(Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol

C6H13NS — CID 166966875

IUPAC(Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol
SMILESCNCC/C(C)=C\S
InChIInChI=1S/C6H13NS/c1-6(5-8)3-4-7-2/h5,7-8H,3-4H2,1-2H3/b6-5-
InChIKeyVSJMBPJWRLOXIO-WAYWQWQTSA-N
MW131.24 g/mol
LogP1.43
Rot. Bonds3

About (Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol

(Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol (PubChem CID 166966875) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol
PubChem CID166966875
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol
SMILESCNCC/C(C)=C\S
InChIInChI=1S/C6H13NS/c1-6(5-8)3-4-7-2/h5,7-8H,3-4H2,1-2H3/b6-5-
InChIKeyVSJMBPJWRLOXIO-WAYWQWQTSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.43
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 (Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol?
The IUPAC name of (Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol (CID 166966875) is (Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol.
What is the SMILES notation for (Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol?
The canonical SMILES for (Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol is CNCC/C(C)=C\S.
What is the InChIKey of (Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol?
The InChIKey is VSJMBPJWRLOXIO-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(5-8)3-4-7-2/h5,7-8H,3-4H2,1-2H3/b6-5-.
What are the key properties of (Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol?
(Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol has a molecular weight of 131.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-(methylamino)but-1-ene-1-thiol is sourced from PubChem (CID 166966875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).