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S,S-diethyl carbamodithioate

HCID 12196
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
623-80-3
Standard SMILES
CCSC(=O)SCC
InChIKey
MBUCFVKJCBBWRI-UHFFFAOYSA-N
Molecular formula
C5H10OS2
Average molar mass
150.3 g/mol
Monoisotopic mass
150.01730729

Names & identifiers

Preferred name
S,S-diethyl carbamodithioate
IUPAC
bis(ethylsulfanyl)methanone
English name
DITHIOCARBONIC ACID S,S'-DIETHYL ESTER
Molecular formula
C5H10OS2
Molecular weight
150.26

Names & synonyms

623-80-3S,S-DIETHYL CARBAMODITHIOATEDTXSID50211366RefChem:1098196DTXCID50133857S,S'-Diethyl Dithiocarbonatebis(ethylsulfanyl)methanoneDITHIOCARBONIC ACID S,S-DIETHYL ESTERDithiocarbonic Acid S,S'-Diethyl EsterS,S-Diethyl dithiocarbonateS,S-DIETHYL CARBONODITHIOATEMFCD00144162
Show more names
bis(ethylthio)methanoneXanthogenic acid S,S-diethylS,S'-DiethylDithiocarbonate>DITHIOCARBONIC ACID S S-DIETHYL ESTERCarbonodithioic acid S,S-diethyl ester
Carbonodithioic acid, S,S-diethyl esterCarbonic acid, dithio-, S,S-diethyl esterSCHEMBL3065037AKOS006230608FD61295SY053929D2078S,S inverted exclamation mark -Diethyl Dithiocarbonate

Database identifiers

CAS
623-80-3
PubChem CID
12196
DTXSID
DTXSID50211366
Nikkaji
J134.801I

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
67.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
8
Formal charge
0
Complexity
64.8

Physicochemical properties

Boiling point
168 °C · 168 °C
Density
1.085 · 1.0850
refractive index
1.521 · 1.5210-1.5250
storage temp.
Refrigerator, under inert atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Oil
color
Colourless
CAS DataBase Reference
623 · 623-80-3
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
227 · H227
Precautionary statements
210 · P210-P280-P370+P378-P403+P235-P501
HS Code
2930909899 · 2930909899

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2930909899
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H227
Precautionary statements
P210-P280-P370+P378-P403+P235-P501

Chemistry & industry

Upstream & downstream products

Downstream products

Butanoic acid,3-(ethylthio)-

Suppliers27 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京东华力拓科技发展有限公司010-88425576 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
南兴化工(江苏)有限公司0512-66387035 18662433356 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
箴德化工科技(上海)有限公司15601952568 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
句容偶联生物科技有限公司19231718652 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
濮阳铂锐科技发展有限公司15203933070 · [email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes