1,4-thiazepane hydrochloride

CAT: 0024-sc-339221ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-339221ASize:1 g

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CAS Number

108724-14-7

Chemical Information

1,4-Thiazepane hydrochloride

CAS Number	108724-14-7
PubChem CID	42945026
IUPAC Name	1,4-thiazepane;hydrochloride
Molecular Formula	C5H12ClNS
Molecular Weight	153.67
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	47

SMILES

C1CNCCSC1.Cl

InChI

InChI=1S/C5H11NS.ClH/c1-2-6-3-5-7-4-1;/h6H,1-5H2;1H

InChIKey

ZLVNOTVFTHJKBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108724-14-7

CID: 42945026

Formula: C5H12ClNS

MW: 153.67

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	153.67
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	153.0378983
Monoisotopic Mass	153.0378983
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	47.3
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	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-304096	1,4-Oxazepane hydrochloride
sc-470644	1,4-Dimethyl-4-piperidinecarbaldehyde hydrochloride
sc-262187A	4,4,4-Trifluorobutan-1-amine hydrochloride
sc-262187	4,4,4-Trifluorobutan-1-amine hydrochloride
sc-339182	1,1'-biphenyl-4-amine hydrochloride
sc-273635	1,4-diphenylbutan-1-amine hydrochloride
sc-332756	1- (4-bromophenyl) -1-methylethylamine hydrochloride
sc-333764A	1-benzoyl-1,4-diazepane hydrochloride
sc-281946	1- (methoxyacetyl) -1,4-diazepane hydrochloride
sc-339182A	1,1'-biphenyl-4-amine hydrochloride

Catalog	Name
OR1034154-01	1,4-Thiazepane 1,1-dioxide hydrochloride
MKD64748-01	3-Cyclopropyl-1,4-thiazepane hydrochloride
BKD16310-01	3-Methyl-1,4-thiazepane hydrochloride
VWC49177-01	5-Methyl-1,4-thiazepane hydrochloride
XID93723-01	7-Phenyl-1,4-thiazepane hydrochloride
VYA59704-01	1,4-thiazepane-1,1-dione hydrochloride
VWC18924-01	5-Methyl-1,4-thiazepane 1-oxide hydrochloride
YWC74720-01	7-Methyl-1,4-thiazepane-1,1-dione hydrochloride
VWC47195-01	6-Methyl-1,4-thiazepane-1,1-dione hydrochloride
VWC27667-01	5-Methyl-1,4-thiazepane-1,1-dione hydrochloride