3,7-Dithia-1,9-nonanediol

CAT: 0127-OR1078548-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1078548-01Size:5 g

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CAS Number

16260-48-3

Synonyms

1,3-Bis (2-hydroxyethylthio) propane / 2,2'- (Trimethylenedithio) diethanol

MDL Number

MFCD01098524

Purity

>92.0%

Smiles

C (CSCCO) CSCCO

Chemical Information

1,3-Bis(2-hydroxyethylthio)propane

structure in first source

CAS Number	16260-48-3
PubChem CID	373735
IUPAC Name	2-[3-(2-hydroxyethylsulfanyl)propylsulfanyl]ethanol
Molecular Formula	C7H16O2S2
Molecular Weight	196.3
XLogP	0.4
Topological Polar Surface Area	91.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	11
Formal Charge	0
Complexity	63

SMILES

C(CSCCO)CSCCO

InChI

InChI=1S/C7H16O2S2/c8-2-6-10-4-1-5-11-7-3-9/h8-9H,1-7H2

InChIKey

JIJWGPUMOGBVMQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16260-48-3

CID: 373735

Formula: C7H16O2S2

MW: 196.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.3
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	196.05917210
Monoisotopic Mass	196.05917210
Topological Polar Surface Area	91.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	63.5
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
OR1078463-01	3,7-Dithia-1,9-nonanedithiol
OR1078891-01	1,2-Nonanediol
OR1027063-01	1,1,3,3,5,5,7,7,9,9-Decamethylpentasiloxane
OR900152-01	1,4-Dithia-7-azaspiro[4.4]nonane hydrochloride
OR1078646-01	2,11-Dithia[3.3]paracyclophane
OR1009008-01	1,1,3,3,5,5,7,7,9,9,11,11-Dodecamethylhexasiloxane
OR4854-01	3,6-Dithia-1,8-octane-1,8-diol
OR1054834-01	9-tert-Butyl 7-methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7,9-dicarboxylate
OR1027123-01	1,1,3,3,5,5,7,7,9,9,11,11,13,13-Tetradecamethylheptasiloxane
PC50375	7,7-Difluoro-3-oxa-9-azabicyclo[3.3.1]nonane

Catalog	Name
sc-485321	3,7-Dithia-1,9-nonanediol
sc-232161	3,7-Dioxa-1,9-nonanediol
sc-485332	3,7-Dithia-1,9-nonanedithiol
DAA93756-01	1,9-Nonanediol
00801-10	1,9-Nonanediol dimethacrylate
N13520-01	1,9-Nonanediol 97%
TRC-N887330-5G	1,9-Nonanediol Diacrylate (>90%)
AR-N08918-01	1,9-Nonanediol Related Compound 1
sc-229040	(R) - (-) -1,3-Nonanediol
TRC-M291080-100MG	6-Methyl-2,7-nonanediol