(E)-2-methyl-4-methyliminopent-2-ene-1-thiol

C7H13NS — CID 145039513

IUPAC(E)-2-methyl-4-methyliminopent-2-ene-1-thiol
SMILESC/N=C(C)/C=C(\C)CS
InChIInChI=1S/C7H13NS/c1-6(5-9)4-7(2)8-3/h4,9H,5H2,1-3H3/b6-4+,8-7+
InChIKeyISAPNILKTGWMOF-GFGVWQOPSA-N
MW143.25 g/mol
LogP1.95
Rot. Bonds2

About (E)-2-methyl-4-methyliminopent-2-ene-1-thiol

(E)-2-methyl-4-methyliminopent-2-ene-1-thiol (PubChem CID 145039513) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (E)-2-methyl-4-methyliminopent-2-ene-1-thiol.

Molecular Properties

Compound Name(E)-2-methyl-4-methyliminopent-2-ene-1-thiol
PubChem CID145039513
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(E)-2-methyl-4-methyliminopent-2-ene-1-thiol
SMILESC/N=C(C)/C=C(\C)CS
InChIInChI=1S/C7H13NS/c1-6(5-9)4-7(2)8-3/h4,9H,5H2,1-3H3/b6-4+,8-7+
InChIKeyISAPNILKTGWMOF-GFGVWQOPSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.95
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'}

Analyze (E)-2-methyl-4-methyliminopent-2-ene-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methanamine, N-(1-methyl-2-(5-methyl-3H-1,2-dithiol-3-ylidene)ethylidene)-
CID 6432555
(Z)-4-methyliminopent-2-enethial
CID 129209386
(3Z)-2-methyliminohexa-3,5-diene-1-thiol
CID 143108378
3-[[(5Z)-2,5-dimethylhepta-2,5-dien-4-ylidene]amino]propane-1-thiol
CID 155053640
1-(4-Methylpent-3-en-2-ylideneamino)ethenethiol
CID 173477358
(4-methyl-2H-pyrrol-5-yl)methanethiol
CID 173508428
(1E,4Z)-6-methyliminoocta-1,4-diene-1-thiol
CID 173887113
3,5-dimethyl-6H-thiazine
CID 165130291

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-methyliminopent-2-ene-1-thiol?
The IUPAC name of (E)-2-methyl-4-methyliminopent-2-ene-1-thiol (CID 145039513) is (E)-2-methyl-4-methyliminopent-2-ene-1-thiol.
What is the SMILES notation for (E)-2-methyl-4-methyliminopent-2-ene-1-thiol?
The canonical SMILES for (E)-2-methyl-4-methyliminopent-2-ene-1-thiol is C/N=C(C)/C=C(\C)CS.
What is the InChIKey of (E)-2-methyl-4-methyliminopent-2-ene-1-thiol?
The InChIKey is ISAPNILKTGWMOF-GFGVWQOPSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(5-9)4-7(2)8-3/h4,9H,5H2,1-3H3/b6-4+,8-7+.
What are the key properties of (E)-2-methyl-4-methyliminopent-2-ene-1-thiol?
(E)-2-methyl-4-methyliminopent-2-ene-1-thiol has a molecular weight of 143.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-methyliminopent-2-ene-1-thiol is sourced from PubChem (CID 145039513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).