(5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine

C10H12F2S — CID 166823929

IUPAC(5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine
SMILESC=C1/C=C\C(F)=C(\F)C(C)CCS1
InChIInChI=1S/C10H12F2S/c1-7-5-6-13-8(2)3-4-9(11)10(7)12/h3-4,7H,2,5-6H2,1H3/b4-3-,10-9-
InChIKeyJEWHKGUOIVWOEJ-RTAKVZRXSA-N
MW202.27 g/mol
LogP3.98
Rot. Bonds

About (5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine

(5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine (PubChem CID 166823929) has the molecular formula C10H12F2S and a molecular weight of 202.27 g/mol. Its IUPAC name is (5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine.

Molecular Properties

Compound Name(5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine
PubChem CID166823929
Molecular FormulaC10H12F2S
Molecular Weight202.27 g/mol
Exact Mass202.06
IUPAC Name(5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine
SMILESC=C1/C=C\C(F)=C(\F)C(C)CCS1
InChIInChI=1S/C10H12F2S/c1-7-5-6-13-8(2)3-4-9(11)10(7)12/h3-4,7H,2,5-6H2,1H3/b4-3-,10-9-
InChIKeyJEWHKGUOIVWOEJ-RTAKVZRXSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine?
The IUPAC name of (5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine (CID 166823929) is (5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine.
What is the SMILES notation for (5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine?
The canonical SMILES for (5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine is C=C1/C=C\C(F)=C(\F)C(C)CCS1.
What is the InChIKey of (5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine?
The InChIKey is JEWHKGUOIVWOEJ-RTAKVZRXSA-N. The full InChI is InChI=1S/C10H12F2S/c1-7-5-6-13-8(2)3-4-9(11)10(7)12/h3-4,7H,2,5-6H2,1H3/b4-3-,10-9-.
What are the key properties of (5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine?
(5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine has a molecular weight of 202.27 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-5,6-difluoro-4-methyl-9-methylidene-3,4-dihydro-2H-thionine is sourced from PubChem (CID 166823929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).