Hexanoic acid, 6,6- (thioureylene)di-

Modify Date: 2025-08-25 13:56:26

Hexanoic acid, 6,6- (thioureylene)di- Structure
Hexanoic acid, 6,6- (thioureylene)di- structure
Common Name Hexanoic acid, 6,6- (thioureylene)di-
CAS Number 6630-05-3 Molecular Weight 304.40600
Density 1.193g/cm3 Boiling Point 513.1ºC at 760 mmHg
Molecular Formula C13H24N2O4S Melting Point N/A
MSDS N/A Flash Point 264.1ºC

 Names

Name 6-(5-carboxypentylcarbamothioylamino)hexanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.193g/cm3
Boiling Point 513.1ºC at 760 mmHg
Molecular Formula C13H24N2O4S
Molecular Weight 304.40600
Flash Point 264.1ºC
Exact Mass 304.14600
PSA 130.75000
LogP 2.52230
Index of Refraction 1.539
InChIKey HVXJATBZGHEZIQ-UHFFFAOYSA-N
SMILES O=C(O)CCCCCNC(=S)NCCCCCC(=O)O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YS2275000
CHEMICAL NAME :
Urea, 1,3-bis(5-carboxypentyl)-2-thio-
CAS REGISTRY NUMBER :
6630-05-3
BEILSTEIN REFERENCE NO. :
1714635
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H24-N2-O4-S
MOLECULAR WEIGHT :
304.45
WISWESSER LINE NOTATION :
QV5MYUS&M5VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

 Synonyms

1,3-bis-(5-carboxypentyl)-2-thiourea
Urea,1,3-bis(5-carboxypentyl)-2-thio
USAF MS-2
N,N'-Bis-(5-Carboxy-pentyl)-thioharnstoff
6,6'-Thioureylen-di-hexansaeure
1,3-Bis(carboxypentyl)thiourea
6,6'-thioureylene-di-hexanoic acid
1,3-Bis(5-carboxypentyl)thiourea
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