(3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine

C13H12S — CID 144601364

IUPAC(3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine
SMILESC=C1/C=C(C)\C=C/c2ccccc2S1
InChIInChI=1S/C13H12S/c1-10-7-8-12-5-3-4-6-13(12)14-11(2)9-10/h3-9H,2H2,1H3/b8-7-,10-9-
InChIKeyYFBSILKUGJMEPL-QRLRYFCNSA-N
MW200.31 g/mol
LogP4.27
Rot. Bonds

About (3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine

(3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine (PubChem CID 144601364) has the molecular formula C13H12S and a molecular weight of 200.31 g/mol. Its IUPAC name is (3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine.

Molecular Properties

Compound Name(3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine
PubChem CID144601364
Molecular FormulaC13H12S
Molecular Weight200.31 g/mol
Exact Mass200.07
IUPAC Name(3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine
SMILESC=C1/C=C(C)\C=C/c2ccccc2S1
InChIInChI=1S/C13H12S/c1-10-7-8-12-5-3-4-6-13(12)14-11(2)9-10/h3-9H,2H2,1H3/b8-7-,10-9-
InChIKeyYFBSILKUGJMEPL-QRLRYFCNSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(3-methylphenyl)phenyl]benzo[b][1]benzothiepine
CID 146914964
3-[4-[4-(4-bromophenyl)phenyl]phenyl]benzo[b][1]benzothiepine
CID 139535339
bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
CID 174841145
methane;2-methyl-5-methylidenecyclopenta-1,3-diene
CID 142180985
benzo[b][1]benzothiepine-3-sulfonic acid
CID 87846057
2-(4-benzo[b][1]benzothiepin-3-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 148524334
1-benzo[b][1]benzothiepin-4-yl-4-methylpiperazine
CID 160810123
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 14290121
CID 10931479
CID 10931479
benzo[b][1]benzothiepin-5-amine
CID 89494624
methyl 1-benzothiepine-2-carboxylate
CID 150598107
5-[(4-methylphenyl)methyl]benzo[b][1]benzothiepine
CID 177479753

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine?
The IUPAC name of (3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine (CID 144601364) is (3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine.
What is the SMILES notation for (3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine?
The canonical SMILES for (3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine is C=C1/C=C(C)\C=C/c2ccccc2S1.
What is the InChIKey of (3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine?
The InChIKey is YFBSILKUGJMEPL-QRLRYFCNSA-N. The full InChI is InChI=1S/C13H12S/c1-10-7-8-12-5-3-4-6-13(12)14-11(2)9-10/h3-9H,2H2,1H3/b8-7-,10-9-.
What are the key properties of (3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine?
(3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine has a molecular weight of 200.31 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-methyl-2-methylidene-1-benzothiocine is sourced from PubChem (CID 144601364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).