4,7-dimethylthiochromene-2-thione

C11H10S2 — CID 12630081

IUPAC4,7-dimethylthiochromene-2-thione
SMILESCc1ccc2c(C)cc(=S)sc2c1
InChIInChI=1S/C11H10S2/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h3-6H,1-2H3
InChIKeyVZZNFXINDHYBEV-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.25
Rot. Bonds

About 4,7-dimethylthiochromene-2-thione

4,7-dimethylthiochromene-2-thione (PubChem CID 12630081) has the molecular formula C11H10S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4,7-dimethylthiochromene-2-thione.

Molecular Properties

Compound Name4,7-dimethylthiochromene-2-thione
PubChem CID12630081
Molecular FormulaC11H10S2
Molecular Weight206.33 g/mol
Exact Mass206.02
IUPAC Name4,7-dimethylthiochromene-2-thione
SMILESCc1ccc2c(C)cc(=S)sc2c1
InChIInChI=1S/C11H10S2/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h3-6H,1-2H3
InChIKeyVZZNFXINDHYBEV-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 156529970
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
4-fluoro-3,7-dimethyldibenzothiophene
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3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole
CID 143237418
2,3-difluoro-6-methyl-1-benzothiophene
CID 129075425
N,17-dimethyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 126614110
12,32-dimethyl-15,22,29-trithiaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(23),2(21),3,6,8(16),9(14),10,12,17,19,24,26,28(36),30(35),31,33,37,40-octadecaene
CID 70935750
7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole
CID 146520517
2-chloro-3-fluoro-6-methyl-1-benzothiophene
CID 129075511
6-methyl-3-sulfanyl-1-benzothiophen-2-ol
CID 130961928
3-ethyl-6-methyl-1-benzothiophene-2-carbaldehyde
CID 131078285
9,23-dimethyl-14,26-dithiaheptacyclo[15.11.0.03,15.04,13.07,12.019,27.020,25]octacosa-1(28),2,4(13),5,7(12),8,10,15,17,19(27),20(25),21,23-tridecaene
CID 70935740

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylthiochromene-2-thione?
The IUPAC name of 4,7-dimethylthiochromene-2-thione (CID 12630081) is 4,7-dimethylthiochromene-2-thione.
What is the SMILES notation for 4,7-dimethylthiochromene-2-thione?
The canonical SMILES for 4,7-dimethylthiochromene-2-thione is Cc1ccc2c(C)cc(=S)sc2c1.
What is the InChIKey of 4,7-dimethylthiochromene-2-thione?
The InChIKey is VZZNFXINDHYBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S2/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h3-6H,1-2H3.
What are the key properties of 4,7-dimethylthiochromene-2-thione?
4,7-dimethylthiochromene-2-thione has a molecular weight of 206.33 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylthiochromene-2-thione is sourced from PubChem (CID 12630081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).