(3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol

C7H11NS — CID 143494446

IUPAC(3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol
SMILESC=C(S)/C=C(C)\N=C\C
InChIInChI=1S/C7H11NS/c1-4-8-6(2)5-7(3)9/h4-5,9H,3H2,1-2H3/b6-5-,8-4+
InChIKeyJYFBIIKUPZMJDH-QNMAEOQASA-N
MW141.24 g/mol
LogP2.42
Rot. Bonds2

About (3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol

(3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol (PubChem CID 143494446) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is (3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol.

Molecular Properties

Compound Name(3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol
PubChem CID143494446
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name(3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol
SMILESC=C(S)/C=C(C)\N=C\C
InChIInChI=1S/C7H11NS/c1-4-8-6(2)5-7(3)9/h4-5,9H,3H2,1-2H3/b6-5-,8-4+
InChIKeyJYFBIIKUPZMJDH-QNMAEOQASA-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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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol?
The IUPAC name of (3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol (CID 143494446) is (3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol.
What is the SMILES notation for (3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol?
The canonical SMILES for (3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol is C=C(S)/C=C(C)\N=C\C.
What is the InChIKey of (3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol?
The InChIKey is JYFBIIKUPZMJDH-QNMAEOQASA-N. The full InChI is InChI=1S/C7H11NS/c1-4-8-6(2)5-7(3)9/h4-5,9H,3H2,1-2H3/b6-5-,8-4+.
What are the key properties of (3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol?
(3Z)-4-(ethylideneamino)penta-1,3-diene-2-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 (3Z)-4-(ethylideneamino)penta-1,3-diene-2-thiol is sourced from PubChem (CID 143494446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).