4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine

C7H11NS — CID 91536003

IUPAC4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine
SMILESC=C1CCSC=CN1C
InChIInChI=1S/C7H11NS/c1-7-3-5-9-6-4-8(7)2/h4,6H,1,3,5H2,2H3
InChIKeyCVAARPPMJDOPKT-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.04
Rot. Bonds

About 4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine

4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine (PubChem CID 91536003) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine.

Molecular Properties

Compound Name4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine
PubChem CID91536003
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine
SMILESC=C1CCSC=CN1C
InChIInChI=1S/C7H11NS/c1-7-3-5-9-6-4-8(7)2/h4,6H,1,3,5H2,2H3
InChIKeyCVAARPPMJDOPKT-UHFFFAOYSA-N
XLogP2.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
CID 46185759
N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
CID 75166264
4-Methyl-5-methylidene-1,4-thiazepane
CID 90244937
(Z)-N-(3-methylsulfanylpropyl)-N-prop-1-en-2-ylbut-1-en-1-amine
CID 164570604

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine?
The IUPAC name of 4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine (CID 91536003) is 4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine.
What is the SMILES notation for 4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine?
The canonical SMILES for 4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine is C=C1CCSC=CN1C.
What is the InChIKey of 4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine?
The InChIKey is CVAARPPMJDOPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-7-3-5-9-6-4-8(7)2/h4,6H,1,3,5H2,2H3.
What are the key properties of 4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine?
4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine has a molecular weight of 141.24 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidene-6,7-dihydro-1,4-thiazepine is sourced from PubChem (CID 91536003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).