(3Z)-2-methyliminohexa-3,5-diene-1-thiol

C7H11NS — CID 143108378

IUPAC(3Z)-2-methyliminohexa-3,5-diene-1-thiol
SMILESC=C/C=C\C(CS)=N\C
InChIInChI=1S/C7H11NS/c1-3-4-5-7(6-9)8-2/h3-5,9H,1,6H2,2H3/b5-4-,8-7-
InChIKeyFVCKUUHJQKFYPH-UTOQUPLUSA-N
MW141.24 g/mol
LogP1.73
Rot. Bonds3

About (3Z)-2-methyliminohexa-3,5-diene-1-thiol

(3Z)-2-methyliminohexa-3,5-diene-1-thiol (PubChem CID 143108378) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is (3Z)-2-methyliminohexa-3,5-diene-1-thiol.

Molecular Properties

Compound Name(3Z)-2-methyliminohexa-3,5-diene-1-thiol
PubChem CID143108378
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name(3Z)-2-methyliminohexa-3,5-diene-1-thiol
SMILESC=C/C=C\C(CS)=N\C
InChIInChI=1S/C7H11NS/c1-3-4-5-7(6-9)8-2/h3-5,9H,1,6H2,2H3/b5-4-,8-7-
InChIKeyFVCKUUHJQKFYPH-UTOQUPLUSA-N
XLogP1.73
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylhexa-3,5-dien-2-imine
CID 91557024
(3Z)-N-methylhexa-3,5-dien-2-imine
CID 118518474
N-methyl-5-methylsulfanylhepta-1,4,6-trien-3-imine
CID 123528853
(Z)-4-methyliminopent-2-enethial
CID 129209386
(4Z)-3-methyliminohepta-4,6-diene-1-thiol
CID 138599228
(3E)-2-ethyliminohepta-3,6-diene-3-thiol
CID 139316707
2-Methyliminobut-3-ene-1-thiol
CID 143106642
(E)-2-methyl-4-methyliminopent-2-ene-1-thiol
CID 145039513
(6-Methylidene-3-methyliminocyclohexa-1,4-dien-1-yl)sulfanium
CID 163565071
4-Methyliminocyclohexa-1,5-diene-1-thiol
CID 163727993
(Z)-3-ethyliminohex-4-ene-1-thiol
CID 166091856
N-[(Z)-pent-3-en-2-ylidene]methanethioamide
CID 170050940

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methyliminohexa-3,5-diene-1-thiol?
The IUPAC name of (3Z)-2-methyliminohexa-3,5-diene-1-thiol (CID 143108378) is (3Z)-2-methyliminohexa-3,5-diene-1-thiol.
What is the SMILES notation for (3Z)-2-methyliminohexa-3,5-diene-1-thiol?
The canonical SMILES for (3Z)-2-methyliminohexa-3,5-diene-1-thiol is C=C/C=C\C(CS)=N\C.
What is the InChIKey of (3Z)-2-methyliminohexa-3,5-diene-1-thiol?
The InChIKey is FVCKUUHJQKFYPH-UTOQUPLUSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-4-5-7(6-9)8-2/h3-5,9H,1,6H2,2H3/b5-4-,8-7-.
What are the key properties of (3Z)-2-methyliminohexa-3,5-diene-1-thiol?
(3Z)-2-methyliminohexa-3,5-diene-1-thiol has a molecular weight of 141.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyliminohexa-3,5-diene-1-thiol is sourced from PubChem (CID 143108378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).