(Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol

C7H9NS — CID 167146817

IUPAC(Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol
SMILESC=CC(=C)/C=N\C=C/S
InChIInChI=1S/C7H9NS/c1-3-7(2)6-8-4-5-9/h3-6,9H,1-2H2/b5-4-,8-6+
InChIKeyFWDUDLHPGXOVKJ-GSGSLZOQSA-N
MW139.22 g/mol
LogP2.20
Rot. Bonds3

About (Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol

(Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol (PubChem CID 167146817) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is (Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol.

Molecular Properties

Compound Name(Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol
PubChem CID167146817
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name(Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol
SMILESC=CC(=C)/C=N\C=C/S
InChIInChI=1S/C7H9NS/c1-3-7(2)6-8-4-5-9/h3-6,9H,1-2H2/b5-4-,8-6+
InChIKeyFWDUDLHPGXOVKJ-GSGSLZOQSA-N
XLogP2.20
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.20
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 (Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol?
The IUPAC name of (Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol (CID 167146817) is (Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol.
What is the SMILES notation for (Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol?
The canonical SMILES for (Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol is C=CC(=C)/C=N\C=C/S.
What is the InChIKey of (Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol?
The InChIKey is FWDUDLHPGXOVKJ-GSGSLZOQSA-N. The full InChI is InChI=1S/C7H9NS/c1-3-7(2)6-8-4-5-9/h3-6,9H,1-2H2/b5-4-,8-6+.
What are the key properties of (Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol?
(Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol has a molecular weight of 139.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-methylidenebut-3-enylideneamino)ethenethiol is sourced from PubChem (CID 167146817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).