4- (Methylsulfanyl) azepane

CAT: 0926-VSC80783-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-VSC80783-01Size:50 mg

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CAS Number

1695807-83-0

MDL Number

MFCD28246255

Smiles

CSC1CCCNCC1

Molecular Formula

C7H15NS

Molecular Weight

145.27 g/mol

Controlled

Chemical Information

4-(Methylsulfanyl)azepane

CAS Number	1695807-83-0
PubChem CID	20139919
IUPAC Name	4-methylsulfanylazepane
Molecular Formula	C7H15NS
Molecular Weight	145.27
XLogP	1.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	75

SMILES

CSC1CCCNCC1

InChI

InChI=1S/C7H15NS/c1-9-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3

InChIKey

AJGCARNEWLWAPY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1695807-83-0

CID: 20139919

Formula: C7H15NS

MW: 145.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.27
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	145.09252066
Monoisotopic Mass	145.09252066
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	75.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
YGC03154-01	3- (Methylsulfanyl) azepane
DXC58961-01	4- (Methylsulfonyl) azepane hydrochloride
RVB37986-01	4- (Methoxymethyl) azepane
NAA66323	1- (4-Nitrophenyl) azepane
HHC67934-01	4- (4-Fluorophenyl) azepane hydrochloride
IJB45396-01	4- (Morpholin-4-yl) azepane
IDC96050-01	3- (4-Fluorophenyl) azepane
EBA52088-01	Azepane-2,4-dione
XAA58172-01	4- (Methylsulfanyl) pyridine
NDA41181-01	4- (Methylsulfanyl) butanamide