7-methyl-1,4,2-benzodithiazin-3-amine

C8H8N2S2 — CID 142252397

IUPAC7-methyl-1,4,2-benzodithiazin-3-amine
SMILESCc1ccc2c(c1)SN=C(N)S2
InChIInChI=1S/C8H8N2S2/c1-5-2-3-6-7(4-5)12-10-8(9)11-6/h2-4H,1H3,(H2,9,10)
InChIKeyMVRZRQCHGADUPA-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.42
Rot. Bonds

About 7-methyl-1,4,2-benzodithiazin-3-amine

7-methyl-1,4,2-benzodithiazin-3-amine (PubChem CID 142252397) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 7-methyl-1,4,2-benzodithiazin-3-amine.

Molecular Properties

Compound Name7-methyl-1,4,2-benzodithiazin-3-amine
PubChem CID142252397
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name7-methyl-1,4,2-benzodithiazin-3-amine
SMILESCc1ccc2c(c1)SN=C(N)S2
InChIInChI=1S/C8H8N2S2/c1-5-2-3-6-7(4-5)12-10-8(9)11-6/h2-4H,1H3,(H2,9,10)
InChIKeyMVRZRQCHGADUPA-UHFFFAOYSA-N
XLogP2.42
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methylthianthrene-2-thiol
CID 158547200
6-chloro-3-methylbenzo[b][1,4]benzothiazepine
CID 70320004
ethane;1-methylthianthrene;2-methylthianthrene
CID 160659064
5,16-dimethyl-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 70923107
6-methyl-2,3-dihydro-1,4-benzodithiine
CID 11789864
3-methyl-1,4,2-benzodithiazine
CID 13230871
3-(7-methylthianthren-2-yl)-10H-phenothiazine
CID 175624592
2-methyl-10H-phenothiazine
CID 611628
7-methyl-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one
CID 102310072
(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 65455690
4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 58046583
5-methyl-2-[4-(5-methyl-1,3-benzodithiol-2-yl)phenyl]-1,3-benzodithiole
CID 4613767

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4,2-benzodithiazin-3-amine?
The IUPAC name of 7-methyl-1,4,2-benzodithiazin-3-amine (CID 142252397) is 7-methyl-1,4,2-benzodithiazin-3-amine.
What is the SMILES notation for 7-methyl-1,4,2-benzodithiazin-3-amine?
The canonical SMILES for 7-methyl-1,4,2-benzodithiazin-3-amine is Cc1ccc2c(c1)SN=C(N)S2.
What is the InChIKey of 7-methyl-1,4,2-benzodithiazin-3-amine?
The InChIKey is MVRZRQCHGADUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-5-2-3-6-7(4-5)12-10-8(9)11-6/h2-4H,1H3,(H2,9,10).
What are the key properties of 7-methyl-1,4,2-benzodithiazin-3-amine?
7-methyl-1,4,2-benzodithiazin-3-amine has a molecular weight of 196.30 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4,2-benzodithiazin-3-amine is sourced from PubChem (CID 142252397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).