(Z)-4-sulfanylidenepent-2-enethial

C5H6S2 — CID 126710808

IUPAC(Z)-4-sulfanylidenepent-2-enethial
SMILESCC(=S)/C=C\C=S
InChIInChI=1S/C5H6S2/c1-5(7)3-2-4-6/h2-4H,1H3/b3-2-
InChIKeyRDEDCLDEKOEEPL-IHWYPQMZSA-N
MW130.24 g/mol
LogP1.93
Rot. Bonds2

About (Z)-4-sulfanylidenepent-2-enethial

(Z)-4-sulfanylidenepent-2-enethial (PubChem CID 126710808) has the molecular formula C5H6S2 and a molecular weight of 130.24 g/mol. Its IUPAC name is (Z)-4-sulfanylidenepent-2-enethial.

Molecular Properties

Compound Name(Z)-4-sulfanylidenepent-2-enethial
PubChem CID126710808
Molecular FormulaC5H6S2
Molecular Weight130.24 g/mol
Exact Mass129.99
IUPAC Name(Z)-4-sulfanylidenepent-2-enethial
SMILESCC(=S)/C=C\C=S
InChIInChI=1S/C5H6S2/c1-5(7)3-2-4-6/h2-4H,1H3/b3-2-
InChIKeyRDEDCLDEKOEEPL-IHWYPQMZSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-4-fluorohexa-2,4-dienethial
CID 146259187
4-sulfanylidenepent-2-enoic acid
CID 87249220
5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial
CID 174066266
(Z)-3-amino-2-methylprop-2-enethial
CID 89371085
2-oxopropanethial
CID 18364311
2-methylprop-2-enethial
CID 54224376
ethanethioamide;2-sulfanylideneacetamide
CID 87924059
4-(furan-2-yl)but-3-ene-2-thione
CID 170923429
cobalt;bis(ethanethioic O-acid)
CID 178067462
CID 164812866
CID 164812866
(3Z,5E)-5-[(2-methylcyclohexa-1,5-dien-1-yl)amino]hepta-3,5-diene-2-thione
CID 155417044
N,N-dimethylethanethioamide;hydrazine
CID 159847458

Frequently Asked Questions

What is the IUPAC name of (Z)-4-sulfanylidenepent-2-enethial?
The IUPAC name of (Z)-4-sulfanylidenepent-2-enethial (CID 126710808) is (Z)-4-sulfanylidenepent-2-enethial.
What is the SMILES notation for (Z)-4-sulfanylidenepent-2-enethial?
The canonical SMILES for (Z)-4-sulfanylidenepent-2-enethial is CC(=S)/C=C\C=S.
What is the InChIKey of (Z)-4-sulfanylidenepent-2-enethial?
The InChIKey is RDEDCLDEKOEEPL-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H6S2/c1-5(7)3-2-4-6/h2-4H,1H3/b3-2-.
What are the key properties of (Z)-4-sulfanylidenepent-2-enethial?
(Z)-4-sulfanylidenepent-2-enethial has a molecular weight of 130.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-sulfanylidenepent-2-enethial is sourced from PubChem (CID 126710808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).