(E)-2-(furan-2-yl)ethenethiol

C6H6OS — CID 87339498

IUPAC(E)-2-(furan-2-yl)ethenethiol
SMILESS/C=C/c1ccco1
InChIInChI=1S/C6H6OS/c8-5-3-6-2-1-4-7-6/h1-5,8H/b5-3+
InChIKeyLVHXVALUUPXYIL-HWKANZROSA-N
MW126.18 g/mol
LogP2.18
Rot. Bonds1

About (E)-2-(furan-2-yl)ethenethiol

(E)-2-(furan-2-yl)ethenethiol (PubChem CID 87339498) has the molecular formula C6H6OS and a molecular weight of 126.18 g/mol. Its IUPAC name is (E)-2-(furan-2-yl)ethenethiol.

Molecular Properties

Compound Name(E)-2-(furan-2-yl)ethenethiol
PubChem CID87339498
Molecular FormulaC6H6OS
Molecular Weight126.18 g/mol
Exact Mass126.01
IUPAC Name(E)-2-(furan-2-yl)ethenethiol
SMILESS/C=C/c1ccco1
InChIInChI=1S/C6H6OS/c8-5-3-6-2-1-4-7-6/h1-5,8H/b5-3+
InChIKeyLVHXVALUUPXYIL-HWKANZROSA-N
XLogP2.18
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2-chloroethenyl]furan
CID 11389398
2-[(E)-2-bromoethenyl]furan
CID 10899150
2-[(E)-2-fluoroethenyl]furan
CID 145208016
2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
2-(3,3,3-trichloroprop-1-enyl)furan
CID 56614654
2-[(E)-2-phenylethenyl]furan
CID 642118
2-(3-chloroprop-1-enyl)furan
CID 54215427
CID 58652123
CID 58652123
furan-2-carbaldehyde
CID 76972982
2-nona-1,3,5,7-tetraenylfuran
CID 173428871
CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571

Frequently Asked Questions

What is the IUPAC name of (E)-2-(furan-2-yl)ethenethiol?
The IUPAC name of (E)-2-(furan-2-yl)ethenethiol (CID 87339498) is (E)-2-(furan-2-yl)ethenethiol.
What is the SMILES notation for (E)-2-(furan-2-yl)ethenethiol?
The canonical SMILES for (E)-2-(furan-2-yl)ethenethiol is S/C=C/c1ccco1.
What is the InChIKey of (E)-2-(furan-2-yl)ethenethiol?
The InChIKey is LVHXVALUUPXYIL-HWKANZROSA-N. The full InChI is InChI=1S/C6H6OS/c8-5-3-6-2-1-4-7-6/h1-5,8H/b5-3+.
What are the key properties of (E)-2-(furan-2-yl)ethenethiol?
(E)-2-(furan-2-yl)ethenethiol has a molecular weight of 126.18 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(furan-2-yl)ethenethiol is sourced from PubChem (CID 87339498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).