(2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol

C10H15NS2 — CID 170069032

IUPAC(2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol
SMILESC/C=C1/NC(=C/CS)/C(=C\CC)S1
InChIInChI=1S/C10H15NS2/c1-3-5-9-8(6-7-12)11-10(4-2)13-9/h4-6,11-12H,3,7H2,1-2H3/b8-6+,9-5+,10-4-
InChIKeyPNVPOKKEHQTPSI-GOSCGZJLSA-N
MW213.37 g/mol
LogP3.29
Rot. Bonds2

About (2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol

(2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol (PubChem CID 170069032) has the molecular formula C10H15NS2 and a molecular weight of 213.37 g/mol. Its IUPAC name is (2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol.

Molecular Properties

Compound Name(2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol
PubChem CID170069032
Molecular FormulaC10H15NS2
Molecular Weight213.37 g/mol
Exact Mass213.06
IUPAC Name(2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol
SMILESC/C=C1/NC(=C/CS)/C(=C\CC)S1
InChIInChI=1S/C10H15NS2/c1-3-5-9-8(6-7-12)11-10(4-2)13-9/h4-6,11-12H,3,7H2,1-2H3/b8-6+,9-5+,10-4-
InChIKeyPNVPOKKEHQTPSI-GOSCGZJLSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol?
The IUPAC name of (2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol (CID 170069032) is (2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol.
What is the SMILES notation for (2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol?
The canonical SMILES for (2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol is C/C=C1/NC(=C/CS)/C(=C\CC)S1.
What is the InChIKey of (2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol?
The InChIKey is PNVPOKKEHQTPSI-GOSCGZJLSA-N. The full InChI is InChI=1S/C10H15NS2/c1-3-5-9-8(6-7-12)11-10(4-2)13-9/h4-6,11-12H,3,7H2,1-2H3/b8-6+,9-5+,10-4-.
What are the key properties of (2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol?
(2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol has a molecular weight of 213.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2Z,5E)-2-ethylidene-5-propylidene-1,3-thiazolidin-4-ylidene]ethanethiol is sourced from PubChem (CID 170069032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).