7,7-Dimethyl-1,4-thiazepane

CAT: 0926-DHC23355-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DHC23355-01Size:50 mg

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CAS Number

1428233-55-9

MDL Number

MFCD24387703

Smiles

CC1 (CCNCCS1) C

Molecular Formula

C7H15NS

Molecular Weight

145.27 g/mol

Controlled

Chemical Information

7,7-Dimethyl-1,4-thiazepane

CAS Number	1428233-55-9
PubChem CID	70319435
IUPAC Name	7,7-dimethyl-1,4-thiazepane
Molecular Formula	C7H15NS
Molecular Weight	145.27
XLogP	1.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	90

SMILES

CC1(CCNCCS1)C

InChI

InChI=1S/C7H15NS/c1-7(2)3-4-8-5-6-9-7/h8H,3-6H2,1-2H3

InChIKey

YZWAFSCFMWWRJB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1428233-55-9

CID: 70319435

Formula: C7H15NS

MW: 145.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.27
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	145.09252066
Monoisotopic Mass	145.09252066
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	90.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
DHC23361-01	7-Methyl-1,4-thiazepane
XID93723-01	7-Phenyl-1,4-thiazepane hydrochloride
YWC74720-01	7-Methyl-1,4-thiazepane-1,1-dione hydrochloride
PZC07373-01	Hexahydro-7, 7-dimethyl-1, 4-thiazepine 1-oxide hydrochloride
CTC89026-01	3- (7,7-Dimethyl-1,4-thiazepan-4-yl) propane-1,2-diol
XLD46313-01	7,7-Dimethyl-1,4-oxazepane hydrochloride
DHC23359-01	6-Methyl-1,4-thiazepane
HAA67050-01	5-Methyl-1,4-thiazepane
IMB69007-01	7,7-Dimethyl-1,4-diazepan-5-one
ZXC54473-01	7,7-Dimethyl-2-azabicyclo[4.1.1]octane

Catalog	Name
OR28914-01	1,4-Dimethyl-7-isopropylazulene
TRC-B585980-1G	1,4-Thiazepane
OR470722	1,7-Dimethyl-1,4-diazepane
OR1071254-01	2,7-Dimethyl-1,4-oxazepane
sc-267824	4,7-Dimethyl-4-octanol
004760	7-Bromo-4,4-dimethyl-1-tetralone
010440	4,4-Dimethyl-7-ethynyl-1-tetralone
JH917521	4 (5H) -Benzofuranone, 6,7-dihydro-7,7-dimethyl-
274618-01	4,7-Dimethyl-1,10-phenanthroline
OR1080592-01	7,7-Dimethyl-5-octyn-4-ol