(1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol

C7H11NS — CID 142099485

IUPAC(1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol
SMILESC/C=C\C(=C\S)\N=C\C
InChIInChI=1S/C7H11NS/c1-3-5-7(6-9)8-4-2/h3-6,9H,1-2H3/b5-3-,7-6-,8-4+
InChIKeyZMXDEAKDYZIHNI-QFRJOCIQSA-N
MW141.24 g/mol
LogP2.42
Rot. Bonds2

About (1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol

(1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol (PubChem CID 142099485) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is (1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol.

Molecular Properties

Compound Name(1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol
PubChem CID142099485
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name(1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol
SMILESC/C=C\C(=C\S)\N=C\C
InChIInChI=1S/C7H11NS/c1-3-5-7(6-9)8-4-2/h3-6,9H,1-2H3/b5-3-,7-6-,8-4+
InChIKeyZMXDEAKDYZIHNI-QFRJOCIQSA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.42
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-[(3Z)-penta-1,3-dien-2-yl]ethanimine
CID 88948676
2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol
CID 89172257
(Z)-2-(ethylideneamino)prop-1-ene-1-thiol
CID 89980898
N-penta-1,3-dien-2-ylethanimine
CID 91071385
(E)-3-(ethylideneamino)but-2-ene-1-thiol
CID 123746264
N-[(3E)-penta-1,3-dien-2-yl]ethanimine
CID 123926177
(2E,4E)-4-(ethylideneamino)hepta-2,4,6-triene-3-thiol
CID 129147781
(4Z)-4-ethylidene-9-methylidene-1,5-thiazonine
CID 137495089
N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine
CID 142099500
N-[(3Z)-penta-1,3-dien-3-yl]ethanimine
CID 142118320
(3Z,5Z)-3-(ethylideneamino)hepta-1,3,5-triene-4-thiol
CID 142178507
(3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol
CID 143494446

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol?
The IUPAC name of (1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol (CID 142099485) is (1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol.
What is the SMILES notation for (1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol?
The canonical SMILES for (1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol is C/C=C\C(=C\S)\N=C\C.
What is the InChIKey of (1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol?
The InChIKey is ZMXDEAKDYZIHNI-QFRJOCIQSA-N. The full InChI is InChI=1S/C7H11NS/c1-3-5-7(6-9)8-4-2/h3-6,9H,1-2H3/b5-3-,7-6-,8-4+.
What are the key properties of (1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol?
(1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol has a molecular weight of 141.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol is sourced from PubChem (CID 142099485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).