S-Propyl chlorothioformate

CAT: 0024-sc-229162Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-229162Size:5 g

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CAS Number

13889-92-4

Chemical Information

S-propyl chlorothioformate

Blackish-brown liquid. (NTP, 1992)

CAS Number	13889-92-4
PubChem CID	26323
IUPAC Name	S-propyl chloromethanethioate
Molecular Formula	C4H7ClOS
Molecular Weight	138.62
XLogP	2.6
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	64

SMILES

CCCSC(=O)Cl

InChI

InChI=1S/C4H7ClOS/c1-2-3-7-4(5)6/h2-3H2,1H3

InChIKey

FYOPSYJKEHWOBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13889-92-4

CID: 26323

Formula: C4H7ClOS

MW: 138.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.62
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	137.9906137
Monoisotopic Mass	137.9906137
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	64.7
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
sc-507137	S-Butyl chlorothioformate
sc-236698	S-sec-Butyl chlorothioformate
sc-229164	S-tert-Butyl chlorothioformate
sc-476524	S-Propyl-2-thiobarbituric Acid
sc-476877	S-Propyl N, N-Diethyldithiocarbamate
sc-212105	N-Acetyl-S-propyl-L-cysteine
sc-476811	S-Propyl N, N-Diethyldithiocarbamate-d7
sc-477082	S-Propyl-5-nitro-2-thiobarbituric Acid
sc-219041	N-Acetyl-S- (propyl-d7) -L-cysteine
sc-483890	(S) -1- (2-Methylphenyl) -N-propyl-2-piperidinecarboxamide

Catalog	Name
P26850	S-Propyl chlorothioformate 96%
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XVB93731-01	(S) -Propyl pramipexole
OR1022319	O-4-Methylphenyl chlorothioformate
OR930740-01	S-N-Propyl thioacetate
RG-A263164-01	S-Propyl 3-Methylbutanethioate
AR-P02459-01	(S) -Propyl Pramipexole Dihydrochloride
GTR19153371-01	(±) -S-Propyl-L-cysteine-S-oxide