1-Thiocyanohexane

Modify Date: 2025-08-26 08:43:02

1-Thiocyanohexane Structure
1-Thiocyanohexane structure
Common Name 1-Thiocyanohexane
CAS Number 6803-40-3 Molecular Weight 143.25000
Density 0.945g/cm3 Boiling Point 218.7ºC at 760 mmHg
Molecular Formula C7H13NS Melting Point N/A
MSDS USA Flash Point 86.1ºC

 Names

Name hexyl thiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.945g/cm3
Boiling Point 218.7ºC at 760 mmHg
Molecular Formula C7H13NS
Molecular Weight 143.25000
Flash Point 86.1ºC
Exact Mass 143.07700
PSA 49.09000
LogP 2.78098
Index of Refraction 1.471
InChIKey BESHFZBHEPQOSU-UHFFFAOYSA-N
SMILES CCCCCCSC#N

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XL1520000
CHEMICAL NAME :
Thiocyanic acid, hexyl ester
CAS REGISTRY NUMBER :
6803-40-3
BEILSTEIN REFERENCE NO. :
1748295
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H13-N-S
MOLECULAR WEIGHT :
143.27
WISWESSER LINE NOTATION :
NCS6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 150,257,1930

 Safety Information

HS Code 2930909090

 Synthetic Route

~91%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(C.N.R.S.) Patent: US2008/15255 A1, 2008 ; Location in patent: Page/Page column 8 ;

~92%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Kodomari, Mitsuo; Kuzuoka, Tetsuo; Yoshitomi, Suehiko Synthesis, 1983 , # 2 p. 141 - 142

~63%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Maeda; Kawaguchi; Masui; Ohmori Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 5 p. 1389 - 1391

~%

Detail
Literature: Krief, Alain; Dumont, Willy; Robert, Michael Synlett, 2006 , # 16 p. 2601 - 2604

~%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Pattison; Brown Canadian Journal of Chemistry, 1956 , vol. 34, p. 879,880,882

~%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Pattison; Millington Canadian Journal of Chemistry, 1956 , vol. 34, p. 757,760

~%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Pattison; Millington Canadian Journal of Chemistry, 1956 , vol. 34, p. 757,760

~%

1-Thiocyanohexane Structure

1-Thiocyanohexane

CAS#:6803-40-3

Literature: Cahours; Pelouze Jahresbericht ueber die Fortschritte der Chemie und Verwandter Theile Anderer Wissenschaften, 1863 , p. 526

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 1-ThiocyanohexaneBioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

Thiocyansaeure-hexylester
hexylthiocyanate
1-Thiocyanohexane
1-hexylthiocyanate
Hexylthiocyanat
Thiocyanic acid,hexyl ester
Hexylrhodanid
Hexylrhodanid [German]
hexylsulfanyl cyanate
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