(Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol

C10H19NS — CID 138657715

IUPAC(Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol
SMILESC/C(=N\C(=C/S)C(C)C)C(C)C
InChIInChI=1S/C10H19NS/c1-7(2)9(5)11-10(6-12)8(3)4/h6-8,12H,1-5H3/b10-6-,11-9+
InChIKeyJXFDQXGNVCJMIR-BZLPTDEHSA-N
MW185.34 g/mol
LogP3.53
Rot. Bonds3

About (Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol

(Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol (PubChem CID 138657715) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol
PubChem CID138657715
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol
SMILESC/C(=N\C(=C/S)C(C)C)C(C)C
InChIInChI=1S/C10H19NS/c1-7(2)9(5)11-10(6-12)8(3)4/h6-8,12H,1-5H3/b10-6-,11-9+
InChIKeyJXFDQXGNVCJMIR-BZLPTDEHSA-N
XLogP3.53
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[(Z)-3-methyl-1-(methylideneamino)but-1-en-2-yl]iminobutane-2-thiol
CID 131999021
(Z)-2-(4-methylpentan-2-ylideneamino)pent-2-ene-1-thiol
CID 134559372
(Z)-2-(butan-2-ylideneamino)-3-methylbut-1-ene-1-thiol
CID 138657758
(Z)-3-methyl-2-(propan-2-ylideneamino)but-1-ene-1-thiol
CID 141777250
(Z)-3,3-dimethyl-2-(propan-2-ylideneamino)but-1-ene-1-thiol
CID 141777251
ethane;3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine
CID 142963758
3-methyl-N-(3-methylbut-1-en-2-yl)butan-2-imine
CID 142963759
N-but-1-en-2-yl-3-methylbutan-2-imine;ethane
CID 178788322
N-but-1-en-2-yl-3-methylbutan-2-imine
CID 178788323

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol?
The IUPAC name of (Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol (CID 138657715) is (Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol.
What is the SMILES notation for (Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol?
The canonical SMILES for (Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol is C/C(=N\C(=C/S)C(C)C)C(C)C.
What is the InChIKey of (Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol?
The InChIKey is JXFDQXGNVCJMIR-BZLPTDEHSA-N. The full InChI is InChI=1S/C10H19NS/c1-7(2)9(5)11-10(6-12)8(3)4/h6-8,12H,1-5H3/b10-6-,11-9+.
What are the key properties of (Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol?
(Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol has a molecular weight of 185.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-(3-methylbutan-2-ylideneamino)but-1-ene-1-thiol is sourced from PubChem (CID 138657715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).